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116-02-9 | Cyclohexanol, 3,3,5-trimethyl-
CAS No: 116-02-9 Catalog No: AG000HFP MDL No:MFCD00019378
Product Description
Catalog Number:
AG000HFP
Chemical Name:
Cyclohexanol, 3,3,5-trimethyl-
CAS Number:
116-02-9
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
MDL Number:
MFCD00019378
IUPAC Name:
3,3,5-trimethylcyclohexan-1-ol
InChI:
InChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3
InChI Key:
BRRVXFOKWJKTGG-UHFFFAOYSA-N
SMILES:
CC1CC(O)CC(C1)(C)C
NSC Number:
4008
FEMA Number:
3962
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.136g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.242g/mol
Monoisotopic Mass:
142.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Acylation of Chiral Alcohols: A Simple Procedure for Chiral GC Analysis. | Journal of analytical methods in chemistry 20120101 |
| New attractants for males of the solanaceous fruit fly Bactrocera latifrons. | Journal of chemical ecology 20081201 |
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