1,3-dimethylbicyclo[1.1.1]pentane

C7H12 — CID 20637481

IUPAC1,3-dimethylbicyclo[1.1.1]pentane
SMILESCC12CC(C)(C1)C2
InChIInChI=1S/C7H12/c1-6-3-7(2,4-6)5-6/h3-5H2,1-2H3
InChIKeyWZZWGDYIXKLNEQ-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.20
Rot. Bonds

About 1,3-dimethylbicyclo[1.1.1]pentane

1,3-dimethylbicyclo[1.1.1]pentane (PubChem CID 20637481) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 1,3-dimethylbicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1,3-dimethylbicyclo[1.1.1]pentane
PubChem CID20637481
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name1,3-dimethylbicyclo[1.1.1]pentane
SMILESCC12CC(C)(C1)C2
InChIInChI=1S/C7H12/c1-6-3-7(2,4-6)5-6/h3-5H2,1-2H3
InChIKeyWZZWGDYIXKLNEQ-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-dimethylbicyclo[1.1.1]pentane 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 1,3-dimethylbicyclo[1.1.1]pentane?
The IUPAC name of 1,3-dimethylbicyclo[1.1.1]pentane (CID 20637481) is 1,3-dimethylbicyclo[1.1.1]pentane.
What is the SMILES notation for 1,3-dimethylbicyclo[1.1.1]pentane?
The canonical SMILES for 1,3-dimethylbicyclo[1.1.1]pentane is CC12CC(C)(C1)C2.
What is the InChIKey of 1,3-dimethylbicyclo[1.1.1]pentane?
The InChIKey is WZZWGDYIXKLNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-6-3-7(2,4-6)5-6/h3-5H2,1-2H3.
What are the key properties of 1,3-dimethylbicyclo[1.1.1]pentane?
1,3-dimethylbicyclo[1.1.1]pentane has a molecular weight of 96.17 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylbicyclo[1.1.1]pentane is sourced from PubChem (CID 20637481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).