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16409-46-4 | Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
CAS No: 16409-46-4 Catalog No: AG001UN1 MDL No:
Product Description
Catalog Number:
AG001UN1
Chemical Name:
Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
CAS Number:
16409-46-4
Molecular Formula:
C15H28O2
Molecular Weight:
240.3816
IUPAC Name:
(5-methyl-2-propan-2-ylcyclohexyl) 3-methylbutanoate
InChI:
InChI=1S/C15H28O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h10-14H,6-9H2,1-5H3
InChI Key:
VYQSSWZYPCCBRN-UHFFFAOYSA-N
SMILES:
CC1CCC(C(C1)OC(=O)CC(C)C)C(C)C
EC Number:
240-460-1
FEMA Number:
2669
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.209g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.387g/mol
Monoisotopic Mass:
240.209g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| A general method to validate breeding value prediction software. | Journal of dairy science 20080801 |
| Nicobrevin for smoking cessation. | The Cochrane database of systematic reviews 20060419 |
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