5-(3-oxopent-4-enoxy)pent-1-en-3-one

C10H14O3 — CID 57263299

IUPAC5-(3-oxopent-4-enoxy)pent-1-en-3-one
SMILESC=CC(=O)CCOCCC(=O)C=C
InChIInChI=1S/C10H14O3/c1-3-9(11)5-7-13-8-6-10(12)4-2/h3-4H,1-2,5-8H2
InChIKeyIMURPSWLDUZDAD-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.29
Rot. Bonds8

About 5-(3-oxopent-4-enoxy)pent-1-en-3-one

5-(3-oxopent-4-enoxy)pent-1-en-3-one (PubChem CID 57263299) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(3-oxopent-4-enoxy)pent-1-en-3-one.

Molecular Properties

Compound Name5-(3-oxopent-4-enoxy)pent-1-en-3-one
PubChem CID57263299
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name5-(3-oxopent-4-enoxy)pent-1-en-3-one
SMILESC=CC(=O)CCOCCC(=O)C=C
InChIInChI=1S/C10H14O3/c1-3-9(11)5-7-13-8-6-10(12)4-2/h3-4H,1-2,5-8H2
InChIKeyIMURPSWLDUZDAD-UHFFFAOYSA-N
XLogP1.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-(3-oxopent-4-enoxy)pent-1-en-3-one 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 5-(3-oxopent-4-enoxy)pent-1-en-3-one?
The IUPAC name of 5-(3-oxopent-4-enoxy)pent-1-en-3-one (CID 57263299) is 5-(3-oxopent-4-enoxy)pent-1-en-3-one.
What is the SMILES notation for 5-(3-oxopent-4-enoxy)pent-1-en-3-one?
The canonical SMILES for 5-(3-oxopent-4-enoxy)pent-1-en-3-one is C=CC(=O)CCOCCC(=O)C=C.
What is the InChIKey of 5-(3-oxopent-4-enoxy)pent-1-en-3-one?
The InChIKey is IMURPSWLDUZDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-9(11)5-7-13-8-6-10(12)4-2/h3-4H,1-2,5-8H2.
What are the key properties of 5-(3-oxopent-4-enoxy)pent-1-en-3-one?
5-(3-oxopent-4-enoxy)pent-1-en-3-one has a molecular weight of 182.22 g/mol, XLogP of 1.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxopent-4-enoxy)pent-1-en-3-one is sourced from PubChem (CID 57263299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).