2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol

C13H26O2 — CID 155621775

IUPAC2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol
SMILESCC1CCC[C@@H](C(C)(C)O)C1C(C)(C)O
InChIInChI=1S/C13H26O2/c1-9-7-6-8-10(12(2,3)14)11(9)13(4,5)15/h9-11,14-15H,6-8H2,1-5H3/t9?,10-,11?/m1/s1
InChIKeyGAZZJRBKZBQPDE-HSOILSAZSA-N
MW214.35 g/mol
LogP2.58
Rot. Bonds2

About 2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol

2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol (PubChem CID 155621775) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol
PubChem CID155621775
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol
SMILESCC1CCC[C@@H](C(C)(C)O)C1C(C)(C)O
InChIInChI=1S/C13H26O2/c1-9-7-6-8-10(12(2,3)14)11(9)13(4,5)15/h9-11,14-15H,6-8H2,1-5H3/t9?,10-,11?/m1/s1
InChIKeyGAZZJRBKZBQPDE-HSOILSAZSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 139609797
2-[(3S)-4-(2-hydroxypropan-2-yl)-5-methyloxan-3-yl]propan-2-ol
CID 155621771
(1R)-1-tert-butyl-2-methylcyclopentane
CID 59875251
2-[(1S,2S)-2-methylcyclopropyl]propan-2-ol
CID 167340222
2-(2-ethylcyclopentyl)propan-2-ol
CID 143832066
1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol
CID 134224504
2-methyl-2-[(1S,2S)-2-methylcyclopentyl]propanedioic acid
CID 139926893
trans-(1R,2R)-1-tert-butyl-2-methylcyclohexane
CID 102398260
(3R,3aS,4S,5S,8aR)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-2,3,3a,4,5,6,7,8-octahydro-1H-azulen-4-ol
CID 102033115
2-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl)propan-2-ol
CID 70032961
(1R,3R,4R)-4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,3-diol
CID 86333734
cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol?
The IUPAC name of 2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol (CID 155621775) is 2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol.
What is the SMILES notation for 2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol?
The canonical SMILES for 2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol is CC1CCC[C@@H](C(C)(C)O)C1C(C)(C)O.
What is the InChIKey of 2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol?
The InChIKey is GAZZJRBKZBQPDE-HSOILSAZSA-N. The full InChI is InChI=1S/C13H26O2/c1-9-7-6-8-10(12(2,3)14)11(9)13(4,5)15/h9-11,14-15H,6-8H2,1-5H3/t9?,10-,11?/m1/s1.
What are the key properties of 2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol?
2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-(2-hydroxypropan-2-yl)-3-methylcyclohexyl]propan-2-ol is sourced from PubChem (CID 155621775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).