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

C8H14O2 — CID 16544

IUPAC[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
SMILESOCC1(CO)CC=CCC1
InChIInChI=1S/C8H14O2/c9-6-8(7-10)4-2-1-3-5-8/h1-2,9-10H,3-7H2
InChIKeyYXEBFFWTZWGHEY-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.70
Rot. Bonds2

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

[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol (PubChem CID 16544) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
PubChem CID16544
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
SMILESOCC1(CO)CC=CCC1
InChIInChI=1S/C8H14O2/c9-6-8(7-10)4-2-1-3-5-8/h1-2,9-10H,3-7H2
InChIKeyYXEBFFWTZWGHEY-UHFFFAOYSA-N
XLogP0.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.70
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

3-Cyclohexene-1-methanol
CID 15512
6-Methyl-3-cyclohexene-1,1-dimethanol
CID 138997
3-Cyclohexene-1-ethanol
CID 86682
(S)-3-cyclohexene-1-methanol
CID 12299191
1-Methyl-3-Cyclohexene-1-Methanol
CID 263168
Cyclohex-4-ene-1,2-diyldimethanol
CID 325100
3-Cyclohexene-1-methanol, (R)-
CID 12299190
cis-1,2-Dihydroxymethylcyclohex-4-ene
CID 11275057
[1-(Hydroxymethyl)cyclopent-3-en-1-yl]methanol
CID 14656537
Isopropyl-3-cyclohexene-1-methanol
CID 129805592
[6-(Hydroxymethyl)-1-cyclohex-3-enyl]methanol
CID 11051760
(4-Methyl-3-pentenyl)-3-cyclohexene-1-methanol
CID 69724529

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol (CID 16544) is [1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol is OCC1(CO)CC=CCC1.
What is the InChIKey of [1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The InChIKey is YXEBFFWTZWGHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-6-8(7-10)4-2-1-3-5-8/h1-2,9-10H,3-7H2.
What are the key properties of [1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
[1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol has a molecular weight of 142.20 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 16544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).