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

C10H18O2 — CID 18761712

IUPAC[6-ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
SMILESCCC1CC=CCC1(CO)CO
InChIInChI=1S/C10H18O2/c1-2-9-5-3-4-6-10(9,7-11)8-12/h3-4,9,11-12H,2,5-8H2,1H3
InChIKeyNJDOOZRUMZMZPF-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.33
Rot. Bonds3

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

[6-ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol (PubChem CID 18761712) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [6-ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[6-ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
PubChem CID18761712
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[6-ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
SMILESCCC1CC=CCC1(CO)CO
InChIInChI=1S/C10H18O2/c1-2-9-5-3-4-6-10(9,7-11)8-12/h3-4,9,11-12H,2,5-8H2,1H3
InChIKeyNJDOOZRUMZMZPF-UHFFFAOYSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.33
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 [6-ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [6-ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol (CID 18761712) is [6-ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [6-ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [6-ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol is CCC1CC=CCC1(CO)CO.
What is the InChIKey of [6-ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
The InChIKey is NJDOOZRUMZMZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-9-5-3-4-6-10(9,7-11)8-12/h3-4,9,11-12H,2,5-8H2,1H3.
What are the key properties of [6-ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol?
[6-ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-1-(hydroxymethyl)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 18761712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).