4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal

C10H14O5 — CID 174446542

IUPAC4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal
SMILESO=CC=CC(O)COCC(O)C=CC=O
InChIInChI=1S/C10H14O5/c11-5-1-3-9(13)7-15-8-10(14)4-2-6-12/h1-6,9-10,13-14H,7-8H2
InChIKeyWUUVIONDKXRPTL-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.76
Rot. Bonds8

About 4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal

4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal (PubChem CID 174446542) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal.

Molecular Properties

Compound Name4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal
PubChem CID174446542
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal
SMILESO=CC=CC(O)COCC(O)C=CC=O
InChIInChI=1S/C10H14O5/c11-5-1-3-9(13)7-15-8-10(14)4-2-6-12/h1-6,9-10,13-14H,7-8H2
InChIKeyWUUVIONDKXRPTL-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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal?
The IUPAC name of 4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal (CID 174446542) is 4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal.
What is the SMILES notation for 4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal?
The canonical SMILES for 4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal is O=CC=CC(O)COCC(O)C=CC=O.
What is the InChIKey of 4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal?
The InChIKey is WUUVIONDKXRPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c11-5-1-3-9(13)7-15-8-10(14)4-2-6-12/h1-6,9-10,13-14H,7-8H2.
What are the key properties of 4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal?
4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal 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 4-hydroxy-5-(2-hydroxy-5-oxopent-3-enoxy)pent-2-enal is sourced from PubChem (CID 174446542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).