[(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol

C13H20O — CID 141254787

IUPAC[(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol
SMILESOC[C@@]1(C2CCCCC2)C=CC=CC1
InChIInChI=1S/C13H20O/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h2,5-6,9,12,14H,1,3-4,7-8,10-11H2/t13-/m1/s1
InChIKeyVNLNBYPYJVVXGM-CYBMUJFWSA-N
MW192.30 g/mol
LogP3.06
Rot. Bonds2

About [(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol

[(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol (PubChem CID 141254787) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is [(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol
PubChem CID141254787
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name[(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol
SMILESOC[C@@]1(C2CCCCC2)C=CC=CC1
InChIInChI=1S/C13H20O/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h2,5-6,9,12,14H,1,3-4,7-8,10-11H2/t13-/m1/s1
InChIKeyVNLNBYPYJVVXGM-CYBMUJFWSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-cyclohexyl-5-(hydroperoxymethyl)cyclohexa-1,3-diene
CID 22590644
1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one
CID 161232949
2-cyclohexyl-2-phenyl-3H-pyridine
CID 174894049
1-[1-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]ethanone
CID 141023556
[1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate
CID 174771297
1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol
CID 154346301
5-butyl-5-(2-cyclohexyloxyethenyl)cyclohexa-1,3-diene
CID 139960072
[6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
CID 139896226
(1-cyclohexylcyclohexa-2,4-dien-1-yl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 151431612
spiro[4.5]deca-1,3,7,9-tetraene
CID 59741992
1,2,3,4,7,8,9,9a-octahydrobenzo[7]annulen-4a-ol
CID 10511273
(2-cyclohexyloxolan-2-yl)methanol
CID 130689922

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol (CID 141254787) is [(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol is OC[C@@]1(C2CCCCC2)C=CC=CC1.
What is the InChIKey of [(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is VNLNBYPYJVVXGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20O/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h2,5-6,9,12,14H,1,3-4,7-8,10-11H2/t13-/m1/s1.
What are the key properties of [(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol?
[(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 192.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-cyclohexylcyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 141254787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).