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

C8H14O2 — CID 15620116

IUPAC[2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
SMILESOCC1C=CCCC1CO
InChIInChI=1S/C8H14O2/c9-5-7-3-1-2-4-8(7)6-10/h1,3,7-10H,2,4-6H2
InChIKeyVZANJIIQFVLBAI-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.55
Rot. Bonds2

About [2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol

[2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol (PubChem CID 15620116) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
PubChem CID15620116
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
SMILESOCC1C=CCCC1CO
InChIInChI=1S/C8H14O2/c9-5-7-3-1-2-4-8(7)6-10/h1,3,7-10H,2,4-6H2
InChIKeyVZANJIIQFVLBAI-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
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

cyclohept-4-en-1-ylmethanol
CID 12630426
(4Z)-6-(hydroxymethyl)cyclooct-4-ene-1-carboxylic acid
CID 166706819
sodium 2-[(1R,2S)-2-(hydroxymethyl)cyclopent-3-en-1-yl]acetate
CID 23669706
2-[(1R,6R)-6-trimethylsilylcyclohex-2-en-1-yl]ethanol
CID 11820069
2-propylcyclohex-3-en-1-amine
CID 67951489
butanedioic acid;cyclopent-2-en-1-ylmethanol
CID 157480041
(1R,2R)-2-butylcyclohex-3-en-1-ol
CID 11205888
[4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol
CID 18326902
(1S)-cyclopent-2-en-1-ol
CID 11789128
[(1R,2S)-2-methylcyclohex-3-en-1-yl]methanamine
CID 55289732
[2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]methanol
CID 66809111
(1S,6R)-6-aminocyclohex-2-en-1-ol
CID 55284350

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol (CID 15620116) is [2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol is OCC1C=CCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The InChIKey is VZANJIIQFVLBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-5-7-3-1-2-4-8(7)6-10/h1,3,7-10H,2,4-6H2.
What are the key properties of [2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
[2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol has a molecular weight of 142.20 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 15620116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).