[1-(3-methylbut-2-enyl)cyclohexyl]methanol

C12H22O — CID 121012756

IUPAC[1-(3-methylbut-2-enyl)cyclohexyl]methanol
SMILESCC(C)=CCC1(CO)CCCCC1
InChIInChI=1S/C12H22O/c1-11(2)6-9-12(10-13)7-4-3-5-8-12/h6,13H,3-5,7-10H2,1-2H3
InChIKeyGESNEYLWVKAIKM-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.29
Rot. Bonds3

About [1-(3-methylbut-2-enyl)cyclohexyl]methanol

[1-(3-methylbut-2-enyl)cyclohexyl]methanol (PubChem CID 121012756) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is [1-(3-methylbut-2-enyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-methylbut-2-enyl)cyclohexyl]methanol
PubChem CID121012756
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name[1-(3-methylbut-2-enyl)cyclohexyl]methanol
SMILESCC(C)=CCC1(CO)CCCCC1
InChIInChI=1S/C12H22O/c1-11(2)6-9-12(10-13)7-4-3-5-8-12/h6,13H,3-5,7-10H2,1-2H3
InChIKeyGESNEYLWVKAIKM-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[1-(3-methylbut-2-enyl)cyclopentyl]butan-2-one
CID 91128613
[1-[1-(hydroxymethyl)cycloundecyl]cycloundecyl]methanol
CID 22328250
(1-ethylcycloheptyl)methanol
CID 56982411
[1-(3-methylbut-2-enyl)cyclopropyl]methanamine
CID 130515255
1-[3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-2-methylsulfanylethanone
CID 72907139
[(3S)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97115250
[(3S)-3-(3-methylbut-2-enyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
CID 97140829
5-[1-(3-methylbut-2-enyl)cyclobutyl]pentanal
CID 87388406
formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde
CID 87279246
1-ethenyl-1-(3-methylbut-2-enyl)cyclopentane
CID 90888982
[1-[1-(hydroxymethyl)cyclononyl]cyclononyl]methanol;bis(2-methylprop-2-enoic acid)
CID 158295547
(3S)-N-ethyl-3-(hydroxymethyl)-N-methyl-3-(3-methylbut-2-enyl)piperidine-1-sulfonamide
CID 97132807

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbut-2-enyl)cyclohexyl]methanol?
The IUPAC name of [1-(3-methylbut-2-enyl)cyclohexyl]methanol (CID 121012756) is [1-(3-methylbut-2-enyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(3-methylbut-2-enyl)cyclohexyl]methanol?
The canonical SMILES for [1-(3-methylbut-2-enyl)cyclohexyl]methanol is CC(C)=CCC1(CO)CCCCC1.
What is the InChIKey of [1-(3-methylbut-2-enyl)cyclohexyl]methanol?
The InChIKey is GESNEYLWVKAIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-11(2)6-9-12(10-13)7-4-3-5-8-12/h6,13H,3-5,7-10H2,1-2H3.
What are the key properties of [1-(3-methylbut-2-enyl)cyclohexyl]methanol?
[1-(3-methylbut-2-enyl)cyclohexyl]methanol has a molecular weight of 182.31 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbut-2-enyl)cyclohexyl]methanol is sourced from PubChem (CID 121012756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).