[3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol

C11H18O2 — CID 21437385

IUPAC[3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESCC1=C(C)C2CC1C(CO)C2CO
InChIInChI=1S/C11H18O2/c1-6-7(2)9-3-8(6)10(4-12)11(9)5-13/h8-13H,3-5H2,1-2H3
InChIKeyUQFNJHYOXUVFEL-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.19
Rot. Bonds2

About [3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol

[3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol (PubChem CID 21437385) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is [3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
PubChem CID21437385
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name[3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol
SMILESCC1=C(C)C2CC1C(CO)C2CO
InChIInChI=1S/C11H18O2/c1-6-7(2)9-3-8(6)10(4-12)11(9)5-13/h8-13H,3-5H2,1-2H3
InChIKeyUQFNJHYOXUVFEL-UHFFFAOYSA-N
XLogP1.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol (CID 21437385) is [3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol is CC1=C(C)C2CC1C(CO)C2CO.
What is the InChIKey of [3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
The InChIKey is UQFNJHYOXUVFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-6-7(2)9-3-8(6)10(4-12)11(9)5-13/h8-13H,3-5H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol?
[3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol has a molecular weight of 182.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-5,6-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]methanol is sourced from PubChem (CID 21437385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).