200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 7779-23-9
7779-23-9 | Hexanoic acid,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
CAS No: 7779-23-9 Catalog No: AG005F2L MDL No:
Product Description
Catalog Number:
AG005F2L
Chemical Name:
Hexanoic acid,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
CAS Number:
7779-23-9
Molecular Formula:
C16H28O2
Molecular Weight:
252.3923
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl hexanoate
InChI:
InChI=1S/C16H28O2/c1-6-8-9-12-15(17)18-16(5,7-2)13-10-11-14(3)4/h7,11H,2,6,8-10,12-13H2,1,3-5H3
InChI Key:
ALKCLFLTXBBMMP-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OC(CCC=C(C)C)(C=C)C
EC Number:
231-922-3
FEMA Number:
2643
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.209g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.398g/mol
Monoisotopic Mass:
252.209g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| Fragrance material review on linalyl hexanoate. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20030701 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.