[6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol

C14H24O2 — CID 139896226

IUPAC[6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
SMILESOCC1(CO)CC=CCC1C1CCCCC1
InChIInChI=1S/C14H24O2/c15-10-14(11-16)9-5-4-8-13(14)12-6-2-1-3-7-12/h4-5,12-13,15-16H,1-3,6-11H2
InChIKeyWVBHCRRTGCXIOY-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.50
Rot. Bonds3

About [6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol

[6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol (PubChem CID 139896226) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
PubChem CID139896226
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
SMILESOCC1(CO)CC=CCC1C1CCCCC1
InChIInChI=1S/C14H24O2/c15-10-14(11-16)9-5-4-8-13(14)12-6-2-1-3-7-12/h4-5,12-13,15-16H,1-3,6-11H2
InChIKeyWVBHCRRTGCXIOY-UHFFFAOYSA-N
XLogP2.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R)-2-cyclohexyl-1-fluorocyclopropyl]methanol
CID 134933667
(2-cyclohexyl-1-fluorocyclopropyl)methanol
CID 10419639
4,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene
CID 123938044
[2-cyclohexyl-1-(4-fluorophenyl)cyclopropyl]methanol
CID 67084504
2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid
CID 10242263
2-[(1S,7S,8R)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid
CID 10036063
benzene;cyclohexylcyclohexane
CID 160520949
trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid
CID 178190756
[4-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol
CID 153180704
[(1R,7R,8S)-8-ethyl-8-bicyclo[5.2.0]nonanyl]methanamine
CID 149036718
[2-cyclohexyl-1-(4-methylsulfonylphenyl)cyclopropyl]methanol
CID 67084525
2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid
CID 142181198

Frequently Asked Questions

What is the IUPAC name of [6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol (CID 139896226) is [6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol is OCC1(CO)CC=CCC1C1CCCCC1.
What is the InChIKey of [6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The InChIKey is WVBHCRRTGCXIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c15-10-14(11-16)9-5-4-8-13(14)12-6-2-1-3-7-12/h4-5,12-13,15-16H,1-3,6-11H2.
What are the key properties of [6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
[6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol has a molecular weight of 224.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyclohexyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 139896226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).