(1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol

C10H20O — CID 176720342

IUPAC(1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@H]1CC[C@H](O)C[C@@H]1C
InChIInChI=1S/C10H20O/c1-7(2)10-5-4-9(11)6-8(10)3/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m0/s1
InChIKeyOEAGMICARLLESU-LPEHRKFASA-N
MW156.27 g/mol
LogP2.44
Rot. Bonds1

About (1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol

(1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol (PubChem CID 176720342) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol
PubChem CID176720342
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@H]1CC[C@H](O)C[C@@H]1C
InChIInChI=1S/C10H20O/c1-7(2)10-5-4-9(11)6-8(10)3/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m0/s1
InChIKeyOEAGMICARLLESU-LPEHRKFASA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-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

Related Compounds

(1R,3R,4S)-4-propan-2-ylcyclohexane-1,3-diol
CID 130918219
4-[(4-hydroxycyclohexyl)-(4-hydroxy-2-methylcyclohexyl)methyl]-3-methylcyclohexan-1-ol
CID 139928251
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
(1R,3R,4R)-3-methyl-4-propan-2-ylcyclohexan-1-amine
CID 153443781
(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol
CID 6994302
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
CID 70559750
trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
CID 130927478
3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490941
3-(azocan-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 165496153
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
CID 66630118
CID 66630118

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol (CID 176720342) is (1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol is CC(C)[C@H]1CC[C@H](O)C[C@@H]1C.
What is the InChIKey of (1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is OEAGMICARLLESU-LPEHRKFASA-N. The full InChI is InChI=1S/C10H20O/c1-7(2)10-5-4-9(11)6-8(10)3/h7-11H,4-6H2,1-3H3/t8-,9-,10+/m0/s1.
What are the key properties of (1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol?
(1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 156.27 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4R)-3-methyl-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 176720342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).