11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde

C15H22O2 — CID 78144675

IUPAC11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde
SMILESCC1=CCCC(C=O)=CC2C(CC1)C2(C)CO
InChIInChI=1S/C15H22O2/c1-11-4-3-5-12(9-16)8-14-13(7-6-11)15(14,2)10-17/h4,8-9,13-14,17H,3,5-7,10H2,1-2H3
InChIKeyXMOWCTRGIZCHKL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.88
Rot. Bonds2

About 11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde

11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde (PubChem CID 78144675) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde.

Molecular Properties

Compound Name11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde
PubChem CID78144675
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde
SMILESCC1=CCCC(C=O)=CC2C(CC1)C2(C)CO
InChIInChI=1S/C15H22O2/c1-11-4-3-5-12(9-16)8-14-13(7-6-11)15(14,2)10-17/h4,8-9,13-14,17H,3,5-7,10H2,1-2H3
InChIKeyXMOWCTRGIZCHKL-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde?
The IUPAC name of 11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde (CID 78144675) is 11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde.
What is the SMILES notation for 11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde?
The canonical SMILES for 11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde is CC1=CCCC(C=O)=CC2C(CC1)C2(C)CO.
What is the InChIKey of 11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde?
The InChIKey is XMOWCTRGIZCHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-4-3-5-12(9-16)8-14-13(7-6-11)15(14,2)10-17/h4,8-9,13-14,17H,3,5-7,10H2,1-2H3.
What are the key properties of 11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde?
11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde has a molecular weight of 234.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(hydroxymethyl)-7,11-dimethylbicyclo[8.1.0]undeca-2,6-diene-3-carbaldehyde is sourced from PubChem (CID 78144675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).