5-hydroxypent-4-enal

C5H8O2 — CID 174674812

IUPAC5-hydroxypent-4-enal
SMILESO=CCCC=CO
InChIInChI=1S/C5H8O2/c6-4-2-1-3-5-7/h2,4-6H,1,3H2
InChIKeyGQFZNHAZVMAXET-UHFFFAOYSA-N
MW100.12 g/mol
LogP1.04
Rot. Bonds3

About 5-hydroxypent-4-enal

5-hydroxypent-4-enal (PubChem CID 174674812) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 5-hydroxypent-4-enal.

Molecular Properties

Compound Name5-hydroxypent-4-enal
PubChem CID174674812
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name5-hydroxypent-4-enal
SMILESO=CCCC=CO
InChIInChI=1S/C5H8O2/c6-4-2-1-3-5-7/h2,4-6H,1,3H2
InChIKeyGQFZNHAZVMAXET-UHFFFAOYSA-N
XLogP1.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-hydroxypent-4-enal
CID 142394986
(E)-oct-4-enedial
CID 5283333
butanedial;phosphoric acid
CID 138592016
(4Z,6E)-octa-4,6-dienal
CID 58249814
methyl (E)-6-oxohex-2-enoate
CID 11804854
7-methyl-6-oxooct-4-enal
CID 131863005
CID 58827011
CID 58827011
tetradeca-4,9-dienal
CID 73196319
acetic acid;but-1-ene-1,4-diol
CID 57358224
undeca-4,9-dienal
CID 72565371
(Z)-18-hydroxyoctadec-9-enal
CID 173172919
docosa-4,8,12,15,19-pentaenal
CID 54481142

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypent-4-enal?
The IUPAC name of 5-hydroxypent-4-enal (CID 174674812) is 5-hydroxypent-4-enal.
What is the SMILES notation for 5-hydroxypent-4-enal?
The canonical SMILES for 5-hydroxypent-4-enal is O=CCCC=CO.
What is the InChIKey of 5-hydroxypent-4-enal?
The InChIKey is GQFZNHAZVMAXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h2,4-6H,1,3H2.
What are the key properties of 5-hydroxypent-4-enal?
5-hydroxypent-4-enal has a molecular weight of 100.12 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypent-4-enal is sourced from PubChem (CID 174674812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).