1,1,3-trimethylcyclobutane

C7H14 — CID 12656861

IUPAC1,1,3-trimethylcyclobutane
SMILESCC1CC(C)(C)C1
InChIInChI=1S/C7H14/c1-6-4-7(2,3)5-6/h6H,4-5H2,1-3H3
InChIKeyMADLTPOPQIARAP-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.44
Rot. Bonds

About 1,1,3-trimethylcyclobutane

1,1,3-trimethylcyclobutane (PubChem CID 12656861) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is 1,1,3-trimethylcyclobutane.

Molecular Properties

Compound Name1,1,3-trimethylcyclobutane
PubChem CID12656861
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name1,1,3-trimethylcyclobutane
SMILESCC1CC(C)(C)C1
InChIInChI=1S/C7H14/c1-6-4-7(2,3)5-6/h6H,4-5H2,1-3H3
InChIKeyMADLTPOPQIARAP-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,3-trimethylcyclobutane 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 1,1,3-trimethylcyclobutane?
The IUPAC name of 1,1,3-trimethylcyclobutane (CID 12656861) is 1,1,3-trimethylcyclobutane.
What is the SMILES notation for 1,1,3-trimethylcyclobutane?
The canonical SMILES for 1,1,3-trimethylcyclobutane is CC1CC(C)(C)C1.
What is the InChIKey of 1,1,3-trimethylcyclobutane?
The InChIKey is MADLTPOPQIARAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-6-4-7(2,3)5-6/h6H,4-5H2,1-3H3.
What are the key properties of 1,1,3-trimethylcyclobutane?
1,1,3-trimethylcyclobutane has a molecular weight of 98.19 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethylcyclobutane is sourced from PubChem (CID 12656861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).