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Structure

(E)-8-Dodecen-1-yl acetate

CAS
38363-29-0
Catalog Number
ACM38363290
Category
Main Products
Molecular Weight
226.35g/mol
Molecular Formula
C14H26O2

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Specification

Synonyms
(E)-8-Dodecen-1-yl acetate;38363-29-0;(E)-Dodec-8-enyl acetate;[(E)-dodec-8-enyl] acetate;(E)-8-Dodecen-1-ol acetate;(E)-8-Dodecenyl acetate;8-Dodecen-1-ol, acetate, (E)-;E-8-Dodecenyl acetate;UNII-0JM5ZAB30X;(E)-8-Dodecen-1-ylacetate;8E-Dodecenyl acetate;(8E)-8-Dodecenyl acetate;0JM5ZAB30X;Orfralure;8-Dodecen-1-ol, 1-acetate, (8E)-;8-Dodecen-1-ol acetate;EINECS 253-904-4;8-Dodecenyl acetate, (8E)-;AI3-33994;E-8-Dodecen-1-yl acetate;Acetic acid (E)-8-dodecenyl;SCHEMBL435026;(8E)-8-Dodecenyl acetate #;DTXSID5035294;28079-04-1;AMY39155;ZINC2169912;LMFA07010227;Q27236867
IUPAC Name
[(E)-dodec-8-enyl] acetate
Canonical SMILES
CCCC=CCCCCCCCOC(=O)C
InChI
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h5-6H,3-4,7-13H2,1-2H3/b6-5+
InChI Key
SUCYDSJQVVGOIW-AATRIKPKSA-N
Appearance
Colorless liquid
Complexity
185
Covalently-Bonded Unit Count
1
EC Number
253-904-4;248-823-6
Exact Mass
226.193280068g/mol
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
2
Monoisotopic Mass
226.193280068g/mol
Rotatable Bond Count
11
Topological Polar Surface Area
26.3Ų
UNII
0JM5ZAB30X
XLogP3
4.8
August 26, 2023


A chemical intermediate
The long chain structure of (E)-8-dodecen-1-yl acetate is stable and can be introduced into other functional groups to synthesize new materials.

What is the molecular formula of E-8-Dodecenyl acetate?

The molecular formula is C14H26O2.

What is the molecular weight of E-8-Dodecenyl acetate?

The molecular weight is 226.35 g/mol.

What is the IUPAC name of E-8-Dodecenyl acetate?

The IUPAC name is [(E)-dodec-8-enyl] acetate.

What is the Canonical SMILES of E-8-Dodecenyl acetate?

The Canonical SMILES is CCCC=CCCCCCCCOC(=O)C.

What is the InChIKey of E-8-Dodecenyl acetate?

The InChIKey is SUCYDSJQVVGOIW-AATRIKPKSA-N.

What is the CAS number of E-8-Dodecenyl acetate?

The CAS number is 38363-29-0.

How many hydrogen bond donor count does E-8-Dodecenyl acetate have?

E-8-Dodecenyl acetate has 0 hydrogen bond donor count.

How many rotatable bond count does E-8-Dodecenyl acetate have?

E-8-Dodecenyl acetate has 11 rotatable bond count.

What is the topological polar surface area of E-8-Dodecenyl acetate?

The topological polar surface area is 26.3 Ų.

What is the complexity of E-8-Dodecenyl acetate?

The complexity is 185.

Upstream Synthesis Route 1

  • 42513-42-8
  • 75-36-5
  • 38363-29-0

Reference: [1]Leal, Walter S.; Bento, J. Mauricio S.; Murata, Yasuhiro; Ono, Miikio; Parra, Jose R. P.; Vilela, Evaldo F.
[Journal of Chemical Ecology, 2001, vol. 27, # 10, p. 2041 - 2051]
[2]Kovaleva,A.S. et al.
[Journal of Organic Chemistry USSR (English Translation), 1972, vol. 8, p. 2523 - 2527][Zhurnal Organicheskoi Khimii, 1972, vol. 8, p. 2474 - 2479]

Downstream Synthesis Route 1

  • 38363-29-0
  • 28079-04-1

Reference: [1]Sonnet,P.E.; Oliver,J.E.
[Journal of Organic Chemistry, 1976, vol. 41, # 20, p. 3284 - 3286]

Downstream Synthesis Route 2

  • 624-92-0
  • 38363-29-0
  • 84801-36-5

Reference: [1]Buser; Arn; Guerin; Rauscher
[Analytical Chemistry, 1983, vol. 55, # 6, p. 818 - 822]

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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