2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene

C12H18 — CID 590290

IUPAC2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene
SMILESCC1=C(C)C2(C)C3CC1(C)CC32
InChIInChI=1S/C12H18/c1-7-8(2)12(4)9-5-11(7,3)6-10(9)12/h9-10H,5-6H2,1-4H3
InChIKeyIAEUJFDBZCCVRV-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.39
Rot. Bonds

About 2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene

2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene (PubChem CID 590290) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene.

Molecular Properties

Compound Name2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene
PubChem CID590290
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene
SMILESCC1=C(C)C2(C)C3CC1(C)CC32
InChIInChI=1S/C12H18/c1-7-8(2)12(4)9-5-11(7,3)6-10(9)12/h9-10H,5-6H2,1-4H3
InChIKeyIAEUJFDBZCCVRV-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene?
The IUPAC name of 2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene (CID 590290) is 2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene.
What is the SMILES notation for 2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene?
The canonical SMILES for 2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene is CC1=C(C)C2(C)C3CC1(C)CC32.
What is the InChIKey of 2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene?
The InChIKey is IAEUJFDBZCCVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-7-8(2)12(4)9-5-11(7,3)6-10(9)12/h9-10H,5-6H2,1-4H3.
What are the key properties of 2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene?
2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene has a molecular weight of 162.28 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyltricyclo[3.2.1.02,7]oct-3-ene is sourced from PubChem (CID 590290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).