Home Other Building Blocks 3,5,5-Trimethyl-2-cyclohexen-1-ol

3,5,5-Trimethyl-2-cyclohexen-1-ol

CAS No.:
470-99-5
Catalog Number:
AG003IJI
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
1 week
United States
$59
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Product Description
Catalog Number:
AG003IJI
Chemical Name:
3,5,5-Trimethyl-2-cyclohexen-1-ol
CAS Number:
470-99-5
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD00001554
IUPAC Name:
3,5,5-trimethylcyclohex-2-en-1-ol
InChI:
InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h4,8,10H,5-6H2,1-3H3
InChI Key:
LDRWAWZXDDBHTG-UHFFFAOYSA-N
SMILES:
CC1=CC(O)CC(C1)(C)C
EC Number:
207-433-6
NSC Number:
263506
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Stereoselective carveol dehydrogenase from Rhodococcus erythropolis DCL14. A novel nicotinoprotein belonging to the short chain dehydrogenase/reductase superfamily. The Journal of biological chemistry 19990910
Properties