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82766-40-3 | 6-Octenoic acid,3,7-dimethyl-, 3,7-dimethyl-6-octen-1-yl ester
CAS No: 82766-40-3 Catalog No: AG004TFV MDL No:
Product Description
Catalog Number:
AG004TFV
Chemical Name:
6-Octenoic acid,3,7-dimethyl-, 3,7-dimethyl-6-octen-1-yl ester
CAS Number:
82766-40-3
Molecular Formula:
C20H36O2
Molecular Weight:
308.4986
IUPAC Name:
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
InChI:
InChI=1S/C20H36O2/c1-16(2)9-7-11-18(5)13-14-22-20(21)15-19(6)12-8-10-17(3)4/h9-10,18-19H,7-8,11-15H2,1-6H3
InChI Key:
HUZXZYWMBWQTNX-UHFFFAOYSA-N
SMILES:
CC(CCC=C(C)C)CCOC(=O)CC(CCC=C(C)C)C
EC Number:
280-025-3
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.272g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.506g/mol
Monoisotopic Mass:
308.272g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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