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10024-64-3 | Octanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
CAS No: 10024-64-3 Catalog No: AG0001CG MDL No:
Product Description
Catalog Number:
AG0001CG
Chemical Name:
Octanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
CAS Number:
10024-64-3
Molecular Formula:
C18H32O2
Molecular Weight:
280.4455
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl octanoate
InChI:
InChI=1S/C18H32O2/c1-6-8-9-10-11-14-17(19)20-18(5,7-2)15-12-13-16(3)4/h7,13H,2,6,8-12,14-15H2,1,3-5H3
InChI Key:
OJKMRECJBIPPRG-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OC(CCC=C(C)C)(C=C)C
EC Number:
233-026-8
FEMA Number:
2644
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.24g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.452g/mol
Monoisotopic Mass:
280.24g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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