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

C8H14O2 — CID 10197745

IUPAC[3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
SMILESOCC1=CCCC(CO)C1
InChIInChI=1S/C8H14O2/c9-5-7-2-1-3-8(4-7)6-10/h2,8-10H,1,3-6H2
InChIKeyMDXIWADVWVYKTH-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.70
Rot. Bonds2

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

[3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol (PubChem CID 10197745) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is [3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
PubChem CID10197745
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name[3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
SMILESOCC1=CCCC(CO)C1
InChIInChI=1S/C8H14O2/c9-5-7-2-1-3-8(4-7)6-10/h2,8-10H,1,3-6H2
InChIKeyMDXIWADVWVYKTH-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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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol (CID 10197745) is [3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol is OCC1=CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The InChIKey is MDXIWADVWVYKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-5-7-2-1-3-8(4-7)6-10/h2,8-10H,1,3-6H2.
What are the key properties of [3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
[3-(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 [3-(hydroxymethyl)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 10197745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).