ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol

C9H20O — CID 143642035

IUPACethane;trans-(1S,2S)-2-methylcyclohexan-1-ol
SMILESCC.C[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C7H14O.C2H6/c1-6-4-2-3-5-7(6)8;1-2/h6-8H,2-5H2,1H3;1-2H3/t6-,7-;/m0./s1
InChIKeyQUGWMIGXVABLDY-LEUCUCNGSA-N
MW144.26 g/mol
LogP2.58
Rot. Bonds

About ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol

ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol (PubChem CID 143642035) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Nameethane;trans-(1S,2S)-2-methylcyclohexan-1-ol
PubChem CID143642035
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Nameethane;trans-(1S,2S)-2-methylcyclohexan-1-ol
SMILESCC.C[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C7H14O.C2H6/c1-6-4-2-3-5-7(6)8;1-2/h6-8H,2-5H2,1H3;1-2H3/t6-,7-;/m0./s1
InChIKeyQUGWMIGXVABLDY-LEUCUCNGSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(1R)-2-methylcyclohexan-1-ol
CID 142359109
ethane;2-methylcyclohexan-1-ol;2-methylcyclopentan-1-ol
CID 157029785
2-methylcyclododecan-1-ol
CID 13130078
cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631
acetic acid;2-methylcyclopentan-1-ol
CID 71356720
(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
CID 165066222
(2S)-2,3-dimethylcyclohexan-1-ol
CID 163715322
carbon dioxide;methane;methanol;2-methylcyclohexan-1-ol;7-oxabicyclo[4.1.0]heptane
CID 162180777
trans-(1R,2R)-2-methylcyclohexan-1-ol;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 91351531
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
cyclohexane-1,2-diol;ethane;propane
CID 143149782
cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol
CID 124710519

Frequently Asked Questions

What is the IUPAC name of ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol?
The IUPAC name of ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol (CID 143642035) is ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol.
What is the SMILES notation for ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol?
The canonical SMILES for ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol is CC.C[C@H]1CCCC[C@@H]1O.
What is the InChIKey of ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol?
The InChIKey is QUGWMIGXVABLDY-LEUCUCNGSA-N. The full InChI is InChI=1S/C7H14O.C2H6/c1-6-4-2-3-5-7(6)8;1-2/h6-8H,2-5H2,1H3;1-2H3/t6-,7-;/m0./s1.
What are the key properties of ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol?
ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol has a molecular weight of 144.26 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol is sourced from PubChem (CID 143642035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).