3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one

C10H14O5 — CID 57186355

IUPAC3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one
SMILESC=CC(O)C(=O)COCC(=O)C(O)C=C
InChIInChI=1S/C10H14O5/c1-3-7(11)9(13)5-15-6-10(14)8(12)4-2/h3-4,7-8,11-12H,1-2,5-6H2
InChIKeyPHCSPJHSMFIXQD-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.76
Rot. Bonds8

About 3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one

3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one (PubChem CID 57186355) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one
PubChem CID57186355
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one
SMILESC=CC(O)C(=O)COCC(=O)C(O)C=C
InChIInChI=1S/C10H14O5/c1-3-7(11)9(13)5-15-6-10(14)8(12)4-2/h3-4,7-8,11-12H,1-2,5-6H2
InChIKeyPHCSPJHSMFIXQD-UHFFFAOYSA-N
XLogP-0.76
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-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 3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one?
The IUPAC name of 3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one (CID 57186355) is 3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one.
What is the SMILES notation for 3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one?
The canonical SMILES for 3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one is C=CC(O)C(=O)COCC(=O)C(O)C=C.
What is the InChIKey of 3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one?
The InChIKey is PHCSPJHSMFIXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-3-7(11)9(13)5-15-6-10(14)8(12)4-2/h3-4,7-8,11-12H,1-2,5-6H2.
What are the key properties of 3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one?
3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one has a molecular weight of 214.22 g/mol, XLogP of -0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(3-hydroxy-2-oxopent-4-enoxy)pent-4-en-2-one is sourced from PubChem (CID 57186355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).