CAS
93963-02-1 Purity
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93963-02-1 Purity
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1-Ethylhept-4-enyl acetate
CAS
93963-09-8
Catalog Number
ACM93963098
Category
Other Products
Molecular Weight
184.275300 [g/mol]
Molecular Formula
C12H22O2
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Specification
Synonyms
1-Ethylhept-4-enyl acetate, EINECS 300-749-6, CID6366324, 93963-09-8
IUPAC Name
[(E)-non-6-en-3-yl] acetate
Canonical SMILES
CCC=CCCC(CC)OC(=O)C
InChI Key
PQEGICQGPZVNDX-VOTSOKGWSA-N
Boiling Point
200.7ºC at 760mmHg
Flash Point
57.3ºC
Density
0.887g/cm³
EC Number
300-749-6
Exact Mass
184.14600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1-Ethylhept-4-enyl acetate?
The molecular formula of 1-Ethylhept-4-enyl acetate is C11H20O2.
What is the synonym for 1-Ethylhept-4-enyl acetate?
The synonym for 1-Ethylhept-4-enyl acetate is EINECS 300-749-6.
What is the molecular weight of 1-Ethylhept-4-enyl acetate?
The molecular weight of 1-Ethylhept-4-enyl acetate is 184.27 g/mol.
What is the IUPAC name of 1-Ethylhept-4-enyl acetate?
The IUPAC name of 1-Ethylhept-4-enyl acetate is [(E)-non-6-en-3-yl] acetate.
What is the InChI of 1-Ethylhept-4-enyl acetate?
The InChI of 1-Ethylhept-4-enyl acetate is InChI=1S/C11H20O2/c1-4-6-7-8-9-11(5-2)13-10(3)12/h6-7,11H,4-5,8-9H2,1-3H3/b7-6+.
What is the InChIKey of 1-Ethylhept-4-enyl acetate?
The InChIKey of 1-Ethylhept-4-enyl acetate is PQEGICQGPZVNDX-VOTSOKGWSA-N.
What is the canonical SMILES of 1-Ethylhept-4-enyl acetate?
The canonical SMILES of 1-Ethylhept-4-enyl acetate is CCC=CCCC(CC)OC(=O)C.
What is the isomeric SMILES of 1-Ethylhept-4-enyl acetate?
The isomeric SMILES of 1-Ethylhept-4-enyl acetate is CC/C=C/CCC(CC)OC(=O)C.
What is the CAS number of 1-Ethylhept-4-enyl acetate?
The CAS number of 1-Ethylhept-4-enyl acetate is 93963-09-8.
What is the molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, and rotatable bond count of 1-Ethylhept-4-enyl acetate?
The molecular weight of 1-Ethylhept-4-enyl acetate is 184.27 g/mol.
The XLogP3-AA value of 1-Ethylhept-4-enyl acetate is 3.2.
The hydrogen bond donor count of 1-Ethylhept-4-enyl acetate is 0.
The hydrogen bond acceptor count of 1-Ethylhept-4-enyl acetate is 2.
The rotatable bond count of 1-Ethylhept-4-enyl acetate is 7.
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