cis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol

C11H22O — CID 66923601

IUPACcis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)C[C@@H]1CCC[C@@](C)(O)C1
InChIInChI=1S/C11H22O/c1-9(2)7-10-5-4-6-11(3,12)8-10/h9-10,12H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyPMKDAPPYGOWKLX-WDEREUQCSA-N
MW170.30 g/mol
LogP2.97
Rot. Bonds2

About cis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol

cis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 66923601) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is cis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID66923601
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Namecis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)C[C@@H]1CCC[C@@](C)(O)C1
InChIInChI=1S/C11H22O/c1-9(2)7-10-5-4-6-11(3,12)8-10/h9-10,12H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyPMKDAPPYGOWKLX-WDEREUQCSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol (CID 66923601) is cis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol is CC(C)C[C@@H]1CCC[C@@](C)(O)C1.
What is the InChIKey of cis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is PMKDAPPYGOWKLX-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22O/c1-9(2)7-10-5-4-6-11(3,12)8-10/h9-10,12H,4-8H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of cis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol?
cis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1-methyl-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 66923601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).