[3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol

C11H18O2 — CID 18761720

IUPAC[3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESCCC1C2C=CC(C2)C1(CO)CO
InChIInChI=1S/C11H18O2/c1-2-10-8-3-4-9(5-8)11(10,6-12)7-13/h3-4,8-10,12-13H,2,5-7H2,1H3
InChIKeyXUUXGAOOJINSNS-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.19
Rot. Bonds3

About [3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol

[3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 18761720) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID18761720
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESCCC1C2C=CC(C2)C1(CO)CO
InChIInChI=1S/C11H18O2/c1-2-10-8-3-4-9(5-8)11(10,6-12)7-13/h3-4,8-10,12-13H,2,5-7H2,1H3
InChIKeyXUUXGAOOJINSNS-UHFFFAOYSA-N
XLogP1.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.19
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-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 18761720) is [3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol is CCC1C2C=CC(C2)C1(CO)CO.
What is the InChIKey of [3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is XUUXGAOOJINSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-10-8-3-4-9(5-8)11(10,6-12)7-13/h3-4,8-10,12-13H,2,5-7H2,1H3.
What are the key properties of [3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 182.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 18761720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).