3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene

C11H14 — CID 176762882

IUPAC3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene
SMILESCC1=C(C)C2C3CCC4C1C432
InChIInChI=1S/C11H14/c1-5-6(2)10-8-4-3-7-9(5)11(7,8)10/h7-10H,3-4H2,1-2H3
InChIKeySPMHBWLNHDVCTK-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.61
Rot. Bonds

About 3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene

3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene (PubChem CID 176762882) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene.

Molecular Properties

Compound Name3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene
PubChem CID176762882
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene
SMILESCC1=C(C)C2C3CCC4C1C432
InChIInChI=1S/C11H14/c1-5-6(2)10-8-4-3-7-9(5)11(7,8)10/h7-10H,3-4H2,1-2H3
InChIKeySPMHBWLNHDVCTK-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene?
The IUPAC name of 3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene (CID 176762882) is 3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene.
What is the SMILES notation for 3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene?
The canonical SMILES for 3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene is CC1=C(C)C2C3CCC4C1C432.
What is the InChIKey of 3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene?
The InChIKey is SPMHBWLNHDVCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-5-6(2)10-8-4-3-7-9(5)11(7,8)10/h7-10H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene?
3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene has a molecular weight of 146.23 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyltetracyclo[4.3.0.01,5.02,9]non-3-ene is sourced from PubChem (CID 176762882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).