(1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol

C10H20O2 — CID 91437445

IUPAC(1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
SMILESCC(C)C1C[C@H](O)C(C)CC1O
InChIInChI=1S/C10H20O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h6-12H,4-5H2,1-3H3/t7?,8?,9-,10?/m0/s1
InChIKeyTXISQGBRDPUIBI-HTEYAMCKSA-N
MW172.27 g/mol
LogP1.41
Rot. Bonds1

About (1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol

(1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol (PubChem CID 91437445) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol.

Molecular Properties

Compound Name(1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
PubChem CID91437445
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
SMILESCC(C)C1C[C@H](O)C(C)CC1O
InChIInChI=1S/C10H20O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h6-12H,4-5H2,1-3H3/t7?,8?,9-,10?/m0/s1
InChIKeyTXISQGBRDPUIBI-HTEYAMCKSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol with MolForge

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

Launch Full Analysis

Related Compounds

cis-(2R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
CID 157009951
(1R,2R,4S,5R)-5-propan-2-ylcyclohexane-1,2,4-triol
CID 157009791
4,5-dimethylcyclohexane-1,2-diol
CID 13429582
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(1S,2S,4R,5S)-4,5-difluoro-2-propan-2-ylcyclohexan-1-ol
CID 177300411
2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol
CID 23443116
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
CID 131177200
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol?
The IUPAC name of (1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol (CID 91437445) is (1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol.
What is the SMILES notation for (1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol?
The canonical SMILES for (1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol is CC(C)C1C[C@H](O)C(C)CC1O.
What is the InChIKey of (1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol?
The InChIKey is TXISQGBRDPUIBI-HTEYAMCKSA-N. The full InChI is InChI=1S/C10H20O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h6-12H,4-5H2,1-3H3/t7?,8?,9-,10?/m0/s1.
What are the key properties of (1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol?
(1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol has a molecular weight of 172.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol is sourced from PubChem (CID 91437445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).