[(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol

C13H24O — CID 118479624

IUPAC[(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol
SMILESC[C@@H](C1CCCCC1)[C@@H]1C[C@@]1(C)CO
InChIInChI=1S/C13H24O/c1-10(11-6-4-3-5-7-11)12-8-13(12,2)9-14/h10-12,14H,3-9H2,1-2H3/t10-,12-,13-/m0/s1
InChIKeyUFECSXFBOBAXAC-DRZSPHRISA-N
MW196.33 g/mol
LogP3.22
Rot. Bonds3

About [(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol

[(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol (PubChem CID 118479624) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is [(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol
PubChem CID118479624
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name[(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol
SMILESC[C@@H](C1CCCCC1)[C@@H]1C[C@@]1(C)CO
InChIInChI=1S/C13H24O/c1-10(11-6-4-3-5-7-11)12-8-13(12,2)9-14/h10-12,14H,3-9H2,1-2H3/t10-,12-,13-/m0/s1
InChIKeyUFECSXFBOBAXAC-DRZSPHRISA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Butylcyclohexanol
CID 7391
p-Menthan-7-ol
CID 83763
2-tert-Butylcyclohexanol
CID 26068
Cyclohexanepropanol, 2,2,6-trimethyl-alpha-propyl-
CID 116699
Tetrahydroionol
CID 107272
Cyclohexanol, 4-(1,1-dimethylpropyl)-
CID 79302
2-Cyclohexylpropanol
CID 79509
alpha,beta,2,2,6-Pentamethylcyclohexanepropanol
CID 108425
rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol
CID 6995537
2-Methyl 5-cyclohexylpentanol
CID 44192644
2-Tert-butyl-5-methylcyclohexanol
CID 137834
alpha-Ethyl-2,2,6-trimethylcyclohexanepropanol
CID 108424

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol (CID 118479624) is [(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol is C[C@@H](C1CCCCC1)[C@@H]1C[C@@]1(C)CO.
What is the InChIKey of [(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol?
The InChIKey is UFECSXFBOBAXAC-DRZSPHRISA-N. The full InChI is InChI=1S/C13H24O/c1-10(11-6-4-3-5-7-11)12-8-13(12,2)9-14/h10-12,14H,3-9H2,1-2H3/t10-,12-,13-/m0/s1.
What are the key properties of [(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol?
[(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol has a molecular weight of 196.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[(1S)-1-cyclohexylethyl]-1-methylcyclopropyl]methanol is sourced from PubChem (CID 118479624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).