CAS
96612-95-2 Purity
97%
96612-95-2 Purity
97%
![(3S,8R,9S,10R,13S,14S,17R)-10,13-Dimethyl-17-[2-(propylamino)-1,3-thiazol-4-yl]-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol](https://resource.alfa-chemistry.com/structure/96618-91-6.gif)
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Hex-3-enyl(,6z)-3,7-dimethylocta-2,6-dienoate
CAS
96619-85-1
Catalog Number
ACM96619851
Category
Other Products
Molecular Weight
250.376440 [g/mol]
Molecular Formula
C16H26O2
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Specification
Synonyms
EINECS 306-197-2, Hex-3-enyl (,6Z)-3,7-dimethylocta-2,6-dienoate, 96619-85-1
IUPAC Name
[(E)-hex-3-enyl] (2Z)-3,7-dimethylocta-2,6-dienoate
Canonical SMILES
CCC=CCCOC(=O)C=C(C)CCC=C(C)C
InChI Key
XQDXMUQTEGWQMP-QPDCXWORSA-N
EC Number
306-197-2
Exact Mass
250.19300
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 93485582?
The molecular formula is C16H26O2.
What is the IUPAC name of the compound?
The IUPAC name is [(E)-hex-3-enyl] (2E)-3,7-dimethylocta-2,6-dienoate.
What is the InChI of the compound?
The InChI is InChI=1S/C16H26O2/c1-5-6-7-8-12-18-16(17)13-15(4)11-9-10-14(2)3/h6-7,10,13H,5,8-9,11-12H2,1-4H3/b7-6+,15-13+.
What is the InChIKey of the compound?
The InChIKey is XQDXMUQTEGWQMP-BSIIKLCUSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CCC=CCCOC(=O)C=C(C)CCC=C(C)C.
What is the isomeric SMILES of the compound?
The isomeric SMILES is CC/C=C/CCOC(=O)/C=C(\C)/CCC=C(C)C.
What is the molecular weight of the compound?
The molecular weight is 250.38 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 5.2.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many rotatable bond counts does the compound have?
The compound has 9 rotatable bond counts.
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