2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione

C14H20O4 — CID 11075949

IUPAC2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
SMILESCC(C)OC1=C(OC(C)C)C(=O)C(C2CC2)C1=O
InChIInChI=1S/C14H20O4/c1-7(2)17-13-11(15)10(9-5-6-9)12(16)14(13)18-8(3)4/h7-10H,5-6H2,1-4H3
InChIKeyMMBWIULDZVLHMF-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.23
Rot. Bonds5

About 2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione

2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione (PubChem CID 11075949) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione.

Molecular Properties

Compound Name2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
PubChem CID11075949
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
SMILESCC(C)OC1=C(OC(C)C)C(=O)C(C2CC2)C1=O
InChIInChI=1S/C14H20O4/c1-7(2)17-13-11(15)10(9-5-6-9)12(16)14(13)18-8(3)4/h7-10H,5-6H2,1-4H3
InChIKeyMMBWIULDZVLHMF-UHFFFAOYSA-N
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-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-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
The IUPAC name of 2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione (CID 11075949) is 2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione.
What is the SMILES notation for 2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
The canonical SMILES for 2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione is CC(C)OC1=C(OC(C)C)C(=O)C(C2CC2)C1=O.
What is the InChIKey of 2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
The InChIKey is MMBWIULDZVLHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-7(2)17-13-11(15)10(9-5-6-9)12(16)14(13)18-8(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione?
2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione has a molecular weight of 252.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione is sourced from PubChem (CID 11075949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).