1,8,9-trimethylbicyclo[5.2.0]non-8-ene

C12H20 — CID 134979742

IUPAC1,8,9-trimethylbicyclo[5.2.0]non-8-ene
SMILESCC1=C(C)C2(C)CCCCCC12
InChIInChI=1S/C12H20/c1-9-10(2)12(3)8-6-4-5-7-11(9)12/h11H,4-8H2,1-3H3
InChIKeyIAAXHKBNRNNPAM-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.92
Rot. Bonds

About 1,8,9-trimethylbicyclo[5.2.0]non-8-ene

1,8,9-trimethylbicyclo[5.2.0]non-8-ene (PubChem CID 134979742) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,8,9-trimethylbicyclo[5.2.0]non-8-ene.

Molecular Properties

Compound Name1,8,9-trimethylbicyclo[5.2.0]non-8-ene
PubChem CID134979742
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,8,9-trimethylbicyclo[5.2.0]non-8-ene
SMILESCC1=C(C)C2(C)CCCCCC12
InChIInChI=1S/C12H20/c1-9-10(2)12(3)8-6-4-5-7-11(9)12/h11H,4-8H2,1-3H3
InChIKeyIAAXHKBNRNNPAM-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.92
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 1,8,9-trimethylbicyclo[5.2.0]non-8-ene?
The IUPAC name of 1,8,9-trimethylbicyclo[5.2.0]non-8-ene (CID 134979742) is 1,8,9-trimethylbicyclo[5.2.0]non-8-ene.
What is the SMILES notation for 1,8,9-trimethylbicyclo[5.2.0]non-8-ene?
The canonical SMILES for 1,8,9-trimethylbicyclo[5.2.0]non-8-ene is CC1=C(C)C2(C)CCCCCC12.
What is the InChIKey of 1,8,9-trimethylbicyclo[5.2.0]non-8-ene?
The InChIKey is IAAXHKBNRNNPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-9-10(2)12(3)8-6-4-5-7-11(9)12/h11H,4-8H2,1-3H3.
What are the key properties of 1,8,9-trimethylbicyclo[5.2.0]non-8-ene?
1,8,9-trimethylbicyclo[5.2.0]non-8-ene has a molecular weight of 164.29 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,9-trimethylbicyclo[5.2.0]non-8-ene is sourced from PubChem (CID 134979742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).