1,2,3-trimethylcyclobutene

C7H12 — CID 20534579

IUPAC1,2,3-trimethylcyclobutene
SMILESCC1=C(C)C(C)C1
InChIInChI=1S/C7H12/c1-5-4-6(2)7(5)3/h5H,4H2,1-3H3
InChIKeyUIOCKNZLNKSXGM-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.36
Rot. Bonds

About 1,2,3-trimethylcyclobutene

1,2,3-trimethylcyclobutene (PubChem CID 20534579) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 1,2,3-trimethylcyclobutene.

Molecular Properties

Compound Name1,2,3-trimethylcyclobutene
PubChem CID20534579
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name1,2,3-trimethylcyclobutene
SMILESCC1=C(C)C(C)C1
InChIInChI=1S/C7H12/c1-5-4-6(2)7(5)3/h5H,4H2,1-3H3
InChIKeyUIOCKNZLNKSXGM-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3-trimethylcyclobutene 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 1,2,3-trimethylcyclobutene?
The IUPAC name of 1,2,3-trimethylcyclobutene (CID 20534579) is 1,2,3-trimethylcyclobutene.
What is the SMILES notation for 1,2,3-trimethylcyclobutene?
The canonical SMILES for 1,2,3-trimethylcyclobutene is CC1=C(C)C(C)C1.
What is the InChIKey of 1,2,3-trimethylcyclobutene?
The InChIKey is UIOCKNZLNKSXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-5-4-6(2)7(5)3/h5H,4H2,1-3H3.
What are the key properties of 1,2,3-trimethylcyclobutene?
1,2,3-trimethylcyclobutene has a molecular weight of 96.17 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylcyclobutene is sourced from PubChem (CID 20534579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).