tricyclo[3.3.0.02,7]octane

C8H12 — CID 13112141

IUPACtricyclo[3.3.0.02,7]octane
SMILESC1CC2C3CC1C2C3
InChIInChI=1S/C8H12/c1-2-7-6-3-5(1)8(7)4-6/h5-8H,1-4H2
InChIKeyFWABQYHXBQPJEP-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.05
Rot. Bonds

About tricyclo[3.3.0.02,7]octane

tricyclo[3.3.0.02,7]octane (PubChem CID 13112141) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is tricyclo[3.3.0.02,7]octane.

Molecular Properties

Compound Nametricyclo[3.3.0.02,7]octane
PubChem CID13112141
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Nametricyclo[3.3.0.02,7]octane
SMILESC1CC2C3CC1C2C3
InChIInChI=1S/C8H12/c1-2-7-6-3-5(1)8(7)4-6/h5-8H,1-4H2
InChIKeyFWABQYHXBQPJEP-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tricyclo[3.3.0.02,7]octane 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 tricyclo[3.3.0.02,7]octane?
The IUPAC name of tricyclo[3.3.0.02,7]octane (CID 13112141) is tricyclo[3.3.0.02,7]octane.
What is the SMILES notation for tricyclo[3.3.0.02,7]octane?
The canonical SMILES for tricyclo[3.3.0.02,7]octane is C1CC2C3CC1C2C3.
What is the InChIKey of tricyclo[3.3.0.02,7]octane?
The InChIKey is FWABQYHXBQPJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-7-6-3-5(1)8(7)4-6/h5-8H,1-4H2.
What are the key properties of tricyclo[3.3.0.02,7]octane?
tricyclo[3.3.0.02,7]octane has a molecular weight of 108.18 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[3.3.0.02,7]octane is sourced from PubChem (CID 13112141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).