2-methyl-2-propylcyclobutane-1,3-dione

C8H12O2 — CID 91117876

IUPAC2-methyl-2-propylcyclobutane-1,3-dione
SMILESCCCC1(C)C(=O)CC1=O
InChIInChI=1S/C8H12O2/c1-3-4-8(2)6(9)5-7(8)10/h3-5H2,1-2H3
InChIKeyGVHLKBIUVLUBAQ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.33
Rot. Bonds2

About 2-methyl-2-propylcyclobutane-1,3-dione

2-methyl-2-propylcyclobutane-1,3-dione (PubChem CID 91117876) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-methyl-2-propylcyclobutane-1,3-dione.

Molecular Properties

Compound Name2-methyl-2-propylcyclobutane-1,3-dione
PubChem CID91117876
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-methyl-2-propylcyclobutane-1,3-dione
SMILESCCCC1(C)C(=O)CC1=O
InChIInChI=1S/C8H12O2/c1-3-4-8(2)6(9)5-7(8)10/h3-5H2,1-2H3
InChIKeyGVHLKBIUVLUBAQ-UHFFFAOYSA-N
XLogP1.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-methyl-2-propylcyclobutane-1,3-dione 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 2-methyl-2-propylcyclobutane-1,3-dione?
The IUPAC name of 2-methyl-2-propylcyclobutane-1,3-dione (CID 91117876) is 2-methyl-2-propylcyclobutane-1,3-dione.
What is the SMILES notation for 2-methyl-2-propylcyclobutane-1,3-dione?
The canonical SMILES for 2-methyl-2-propylcyclobutane-1,3-dione is CCCC1(C)C(=O)CC1=O.
What is the InChIKey of 2-methyl-2-propylcyclobutane-1,3-dione?
The InChIKey is GVHLKBIUVLUBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-4-8(2)6(9)5-7(8)10/h3-5H2,1-2H3.
What are the key properties of 2-methyl-2-propylcyclobutane-1,3-dione?
2-methyl-2-propylcyclobutane-1,3-dione has a molecular weight of 140.18 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propylcyclobutane-1,3-dione is sourced from PubChem (CID 91117876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).