(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

C12H24O2 — CID 174920728

IUPAC(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@](C)(CCO)C[C@H]1O
InChIInChI=1S/C12H24O2/c1-9(2)10-4-5-12(3,6-7-13)8-11(10)14/h9-11,13-14H,4-8H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyXENQQWFINWECDJ-TUAOUCFPSA-N
MW200.32 g/mol
LogP2.19
Rot. Bonds3

About (1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol

(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 174920728) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID174920728
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@](C)(CCO)C[C@H]1O
InChIInChI=1S/C12H24O2/c1-9(2)10-4-5-12(3,6-7-13)8-11(10)14/h9-11,13-14H,4-8H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyXENQQWFINWECDJ-TUAOUCFPSA-N
XLogP2.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174625058
5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 22117962
2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol
CID 155675582
(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475
5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 155675581
2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol
CID 155675575
5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 155675585
5-ethynyl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 121006611
3-[(1R,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl]oxypropane-1,2-diol
CID 66601164
(1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 57494678
trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol
CID 159846173
1-ethyl-1,3-dimethyl-4-propan-2-ylcyclohexane
CID 158729165

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 174920728) is (1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC(C)[C@@H]1CC[C@@](C)(CCO)C[C@H]1O.
What is the InChIKey of (1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is XENQQWFINWECDJ-TUAOUCFPSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)10-4-5-12(3,6-7-13)8-11(10)14/h9-11,13-14H,4-8H2,1-3H3/t10-,11+,12-/m0/s1.
What are the key properties of (1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 174920728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).