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

C12H24O — CID 174625058

IUPAC(1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC[C@]1(C)CC[C@@H](C(C)C)[C@H](O)C1
InChIInChI=1S/C12H24O/c1-5-12(4)7-6-10(9(2)3)11(13)8-12/h9-11,13H,5-8H2,1-4H3/t10-,11+,12+/m0/s1
InChIKeyGWQVHXKMOVMJGN-QJPTWQEYSA-N
MW184.32 g/mol
LogP3.22
Rot. Bonds2

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

(1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 174625058) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID174625058
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC[C@]1(C)CC[C@@H](C(C)C)[C@H](O)C1
InChIInChI=1S/C12H24O/c1-5-12(4)7-6-10(9(2)3)11(13)8-12/h9-11,13H,5-8H2,1-4H3/t10-,11+,12+/m0/s1
InChIKeyGWQVHXKMOVMJGN-QJPTWQEYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 22117962
(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174920728
1-ethyl-1,3-dimethyl-4-propan-2-ylcyclohexane
CID 158729165
(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475
(1S,2R,5R)-5-ethyl-2,5-dimethylcyclohexan-1-ol
CID 130762477
2-(1-hydroxypropan-2-yl)-5-methyl-5-propylcyclohexan-1-ol
CID 155675582
5-butyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 155675581
5-ethynyl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 121006611
(1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 57494678
5-hexyl-2-(1-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
CID 155675585
2-(1-hydroxypropan-2-yl)-5-methyl-5-octylcyclohexan-1-ol
CID 155675575
trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol
CID 159846173

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 174625058) is (1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC[C@]1(C)CC[C@@H](C(C)C)[C@H](O)C1.
What is the InChIKey of (1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is GWQVHXKMOVMJGN-QJPTWQEYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-12(4)7-6-10(9(2)3)11(13)8-12/h9-11,13H,5-8H2,1-4H3/t10-,11+,12+/m0/s1.
What are the key properties of (1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol?
(1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 174625058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).