(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

C40H80O8 — CID 167591584

IUPAC(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@H](C(C)(C)O)[C@@H](O)C1.C[C@@H]1CC[C@H](C(C)(C)O)[C@H](O)C1.C[C@H]1CC[C@@H](C(C)(C)O)[C@@H](O)C1.C[C@H]1CC[C@@H](C(C)(C)O)[C@H](O)C1
InChIInChI=1S/4C10H20O2/c4*1-7-4-5-8(9(11)6-7)10(2,3)12/h4*7-9,11-12H,4-6H2,1-3H3/t2*7-,8+,9+;2*7-,8+,9-/m1010/s1
InChIKeyIMWVSFMZTHDWQF-CULMNMMWSA-N
MW689.07 g/mol
LogP6.22
Rot. Bonds4

About (1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol

(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol (PubChem CID 167591584) has the molecular formula C40H80O8 and a molecular weight of 689.07 g/mol. Its IUPAC name is (1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
PubChem CID167591584
Molecular FormulaC40H80O8
Molecular Weight689.07 g/mol
Exact Mass688.59
IUPAC Name(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@H](C(C)(C)O)[C@@H](O)C1.C[C@@H]1CC[C@H](C(C)(C)O)[C@H](O)C1.C[C@H]1CC[C@@H](C(C)(C)O)[C@@H](O)C1.C[C@H]1CC[C@@H](C(C)(C)O)[C@H](O)C1
InChIInChI=1S/4C10H20O2/c4*1-7-4-5-8(9(11)6-7)10(2,3)12/h4*7-9,11-12H,4-6H2,1-3H3/t2*7-,8+,9+;2*7-,8+,9-/m1010/s1
InChIKeyIMWVSFMZTHDWQF-CULMNMMWSA-N
XLogP6.22
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500689.07
LogP ≤ 56.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze (1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-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

(1S,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 92529738
(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 68635053
2-(2,3-dimethylbutan-2-yl)-5-methylcyclohexan-1-ol
CID 64766518
(1R,2R,5S)-2,5-dimethylcyclohexan-1-ol
CID 12794034
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
(1R,2S,5R)-2-[2-[(3R,4R)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10586997
(1S,2S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-ol
CID 40512915
5-methyl-2-(2-methylpentan-2-yl)cyclohexan-1-ol
CID 64766519
2-[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]-2-methylpropanenitrile
CID 130129826
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
potassium 2,5-dimethylcyclohexan-1-ol
CID 18764424
2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol
CID 167340222

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol?
The IUPAC name of (1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol (CID 167591584) is (1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol is C[C@@H]1CC[C@H](C(C)(C)O)[C@@H](O)C1.C[C@@H]1CC[C@H](C(C)(C)O)[C@H](O)C1.C[C@H]1CC[C@@H](C(C)(C)O)[C@@H](O)C1.C[C@H]1CC[C@@H](C(C)(C)O)[C@H](O)C1.
What is the InChIKey of (1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol?
The InChIKey is IMWVSFMZTHDWQF-CULMNMMWSA-N. The full InChI is InChI=1S/4C10H20O2/c4*1-7-4-5-8(9(11)6-7)10(2,3)12/h4*7-9,11-12H,4-6H2,1-3H3/t2*7-,8+,9+;2*7-,8+,9-/m1010/s1.
What are the key properties of (1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol?
(1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol has a molecular weight of 689.07 g/mol, XLogP of 6.22, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1R,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2R,5S)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol;(1S,2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol is sourced from PubChem (CID 167591584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).