200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116331-57-8
116331-57-8 | Benzenepentanoic acid, 3,7-dimethyl-6-octen-1-yl ester
CAS No: 116331-57-8 Catalog No: AG000C8G MDL No:
Product Description
Catalog Number:
AG000C8G
Chemical Name:
Benzenepentanoic acid, 3,7-dimethyl-6-octen-1-yl ester
CAS Number:
116331-57-8
Molecular Formula:
C21H32O2
Molecular Weight:
316.4776
IUPAC Name:
3,7-dimethyloct-6-enyl 5-phenylpentanoate
InChI:
InChI=1S/C21H32O2/c1-18(2)10-9-11-19(3)16-17-23-21(22)15-8-7-14-20-12-5-4-6-13-20/h4-6,10,12-13,19H,7-9,11,14-17H2,1-3H3
InChI Key:
FDSRHKHFWWLRAJ-UHFFFAOYSA-N
SMILES:
CC(CCC=C(C)C)CCOC(=O)CCCCc1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.24g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.485g/mol
Monoisotopic Mass:
316.24g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.