trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol

C12H24O — CID 178196658

IUPACtrans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol
SMILESCCC(C)C[C@H]1CCCC[C@]1(C)O
InChIInChI=1S/C12H24O/c1-4-10(2)9-11-7-5-6-8-12(11,3)13/h10-11,13H,4-9H2,1-3H3/t10?,11-,12+/m1/s1
InChIKeyWPHSBESSPWAJAG-SAIIYOCFSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds3

About trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol

trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol (PubChem CID 178196658) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol
PubChem CID178196658
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Nametrans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol
SMILESCCC(C)C[C@H]1CCCC[C@]1(C)O
InChIInChI=1S/C12H24O/c1-4-10(2)9-11-7-5-6-8-12(11,3)13/h10-11,13H,4-9H2,1-3H3/t10?,11-,12+/m1/s1
InChIKeyWPHSBESSPWAJAG-SAIIYOCFSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2R)-1-methyl-2-(3-methylbut-3-enyl)cyclohexan-1-ol
CID 178196709
2-[(dimethylamino)methyl]-1-methylcyclohexan-1-ol
CID 3028098
(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride
CID 155887959
trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol
CID 178196610
trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
CID 10964528
2-propylcyclohexane-1,1-diol
CID 19352764
trans-(1R,2S)-1-methyl-2-pent-4-ynylcyclohexan-1-ol
CID 165444342
azane;2-methylbutylcyclohexane
CID 143986613
(2S)-1-methyl-2-(propan-2-ylamino)cyclohexan-1-ol
CID 155141541
1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one
CID 15006382
cis-(1S,2S)-1-methyl-2-(methylamino)cyclohexan-1-ol
CID 138485251
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol (CID 178196658) is trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol is CCC(C)C[C@H]1CCCC[C@]1(C)O.
What is the InChIKey of trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol?
The InChIKey is WPHSBESSPWAJAG-SAIIYOCFSA-N. The full InChI is InChI=1S/C12H24O/c1-4-10(2)9-11-7-5-6-8-12(11,3)13/h10-11,13H,4-9H2,1-3H3/t10?,11-,12+/m1/s1.
What are the key properties of trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol?
trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol is sourced from PubChem (CID 178196658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).