cis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol

C10H20O2 — CID 119031559

IUPACcis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)(O)C[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H20O2/c1-10(2,12)7-8-5-3-4-6-9(8)11/h8-9,11-12H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyBFCQCRWHZVSGFL-DTWKUNHWSA-N
MW172.27 g/mol
LogP1.70
Rot. Bonds2

About cis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol

cis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol (PubChem CID 119031559) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol
PubChem CID119031559
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namecis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)(O)C[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H20O2/c1-10(2,12)7-8-5-3-4-6-9(8)11/h8-9,11-12H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyBFCQCRWHZVSGFL-DTWKUNHWSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-Dimethyl-1,7-octanediol
CID 249494
P-Menthane-3,8-diol
CID 556998
Menthoglycol
CID 19100
1-Cyclohexylethanol
CID 137829
2-Propylcyclohexan-1-ol
CID 138614
2-tert-Butylcyclohexanol
CID 26068
7-Ethyl-2-methyl-4-undecanol
CID 97948
alpha-Methylcyclohexanepropanol
CID 112065
3,7-Dimethyl-7-methoxyoctan-2-ol
CID 162053
2,6-Dimethylcyclohexanol
CID 21428
(1R,2S,4R)-2-Hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol
CID 9920491
2,4-Dimethylcyclohexan-1-ol
CID 98251

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol (CID 119031559) is cis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol is CC(C)(O)C[C@@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol?
The InChIKey is BFCQCRWHZVSGFL-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2,12)7-8-5-3-4-6-9(8)11/h8-9,11-12H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol?
cis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2-hydroxy-2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 119031559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).