3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione

C11H12O2 — CID 130029541

IUPAC3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione
SMILESCC1=CCC2C(=O)C3CC(=O)C2C13
InChIInChI=1S/C11H12O2/c1-5-2-3-6-10-8(12)4-7(9(5)10)11(6)13/h2,6-7,9-10H,3-4H2,1H3
InChIKeyPOVZMHFNZHUDII-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.36
Rot. Bonds

About 3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione

3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione (PubChem CID 130029541) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione.

Molecular Properties

Compound Name3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione
PubChem CID130029541
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione
SMILESCC1=CCC2C(=O)C3CC(=O)C2C13
InChIInChI=1S/C11H12O2/c1-5-2-3-6-10-8(12)4-7(9(5)10)11(6)13/h2,6-7,9-10H,3-4H2,1H3
InChIKeyPOVZMHFNZHUDII-UHFFFAOYSA-N
XLogP1.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
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-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione?
The IUPAC name of 3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione (CID 130029541) is 3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione.
What is the SMILES notation for 3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione?
The canonical SMILES for 3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione is CC1=CCC2C(=O)C3CC(=O)C2C13.
What is the InChIKey of 3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione?
The InChIKey is POVZMHFNZHUDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-5-2-3-6-10-8(12)4-7(9(5)10)11(6)13/h2,6-7,9-10H,3-4H2,1H3.
What are the key properties of 3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione?
3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione has a molecular weight of 176.21 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltricyclo[4.4.0.02,8]dec-3-ene-7,10-dione is sourced from PubChem (CID 130029541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).