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

C12H20O2 — CID 18761716

IUPAC[2-(hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESCCCC1C2C=CC(C2)C1(CO)CO
InChIInChI=1S/C12H20O2/c1-2-3-11-9-4-5-10(6-9)12(11,7-13)8-14/h4-5,9-11,13-14H,2-3,6-8H2,1H3
InChIKeyGADCGABYAGTTFN-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.58
Rot. Bonds4

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

[2-(hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 18761716) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID18761716
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name[2-(hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESCCCC1C2C=CC(C2)C1(CO)CO
InChIInChI=1S/C12H20O2/c1-2-3-11-9-4-5-10(6-9)12(11,7-13)8-14/h4-5,9-11,13-14H,2-3,6-8H2,1H3
InChIKeyGADCGABYAGTTFN-UHFFFAOYSA-N
XLogP1.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.58
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 [2-(hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [2-(hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 18761716) is [2-(hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol is CCCC1C2C=CC(C2)C1(CO)CO.
What is the InChIKey of [2-(hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is GADCGABYAGTTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-3-11-9-4-5-10(6-9)12(11,7-13)8-14/h4-5,9-11,13-14H,2-3,6-8H2,1H3.
What are the key properties of [2-(hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[2-(hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 196.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-propyl-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 18761716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).