8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde

C11H12O2 — CID 89343336

IUPAC8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde
SMILESCC1C2C=CC(C=O)=CC1C2C=O
InChIInChI=1S/C11H12O2/c1-7-9-3-2-8(5-12)4-10(7)11(9)6-13/h2-7,9-11H,1H3
InChIKeyDHEHPQNLABXFJY-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.38
Rot. Bonds2

About 8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde

8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde (PubChem CID 89343336) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde.

Molecular Properties

Compound Name8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde
PubChem CID89343336
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde
SMILESCC1C2C=CC(C=O)=CC1C2C=O
InChIInChI=1S/C11H12O2/c1-7-9-3-2-8(5-12)4-10(7)11(9)6-13/h2-7,9-11H,1H3
InChIKeyDHEHPQNLABXFJY-UHFFFAOYSA-N
XLogP1.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde?
The IUPAC name of 8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde (CID 89343336) is 8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde.
What is the SMILES notation for 8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde?
The canonical SMILES for 8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde is CC1C2C=CC(C=O)=CC1C2C=O.
What is the InChIKey of 8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde?
The InChIKey is DHEHPQNLABXFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-7-9-3-2-8(5-12)4-10(7)11(9)6-13/h2-7,9-11H,1H3.
What are the key properties of 8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde?
8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylbicyclo[4.1.1]octa-2,4-diene-3,7-dicarbaldehyde is sourced from PubChem (CID 89343336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).