1,2-dimethyl-3-propylidenecyclobutane

C9H16 — CID 91193282

IUPAC1,2-dimethyl-3-propylidenecyclobutane
SMILESCCC=C1CC(C)C1C
InChIInChI=1S/C9H16/c1-4-5-9-6-7(2)8(9)3/h5,7-8H,4,6H2,1-3H3
InChIKeyPITIYSOMZFXKFG-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds1

About 1,2-dimethyl-3-propylidenecyclobutane

1,2-dimethyl-3-propylidenecyclobutane (PubChem CID 91193282) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1,2-dimethyl-3-propylidenecyclobutane.

Molecular Properties

Compound Name1,2-dimethyl-3-propylidenecyclobutane
PubChem CID91193282
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1,2-dimethyl-3-propylidenecyclobutane
SMILESCCC=C1CC(C)C1C
InChIInChI=1S/C9H16/c1-4-5-9-6-7(2)8(9)3/h5,7-8H,4,6H2,1-3H3
InChIKeyPITIYSOMZFXKFG-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-3-propylidenecyclobutane 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 1,2-dimethyl-3-propylidenecyclobutane?
The IUPAC name of 1,2-dimethyl-3-propylidenecyclobutane (CID 91193282) is 1,2-dimethyl-3-propylidenecyclobutane.
What is the SMILES notation for 1,2-dimethyl-3-propylidenecyclobutane?
The canonical SMILES for 1,2-dimethyl-3-propylidenecyclobutane is CCC=C1CC(C)C1C.
What is the InChIKey of 1,2-dimethyl-3-propylidenecyclobutane?
The InChIKey is PITIYSOMZFXKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-4-5-9-6-7(2)8(9)3/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 1,2-dimethyl-3-propylidenecyclobutane?
1,2-dimethyl-3-propylidenecyclobutane has a molecular weight of 124.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-propylidenecyclobutane is sourced from PubChem (CID 91193282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).