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72934-05-5 | Octanoic acid, 3,7-dimethyl-6-octenyl ester
CAS No: 72934-05-5 Catalog No: AG005DWD MDL No:
Product Description
Catalog Number:
AG005DWD
Chemical Name:
Octanoic acid, 3,7-dimethyl-6-octenyl ester
CAS Number:
72934-05-5
Molecular Formula:
C18H34O2
Molecular Weight:
282.4614
IUPAC Name:
3,7-dimethyloct-6-enyl octanoate
InChI:
InChI=1S/C18H34O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,17H,5-10,12-15H2,1-4H3
InChI Key:
RDBWSCQYUJLRGB-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OCCC(CCC=C(C)C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.256g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.468g/mol
Monoisotopic Mass:
282.256g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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