2-ethenyl-2-hydroxypent-4-enal

C7H10O2 — CID 173106151

IUPAC2-ethenyl-2-hydroxypent-4-enal
SMILESC=CCC(O)(C=C)C=O
InChIInChI=1S/C7H10O2/c1-3-5-7(9,4-2)6-8/h3-4,6,9H,1-2,5H2
InChIKeyKIOLKXZMMJIJRB-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.68
Rot. Bonds4

About 2-ethenyl-2-hydroxypent-4-enal

2-ethenyl-2-hydroxypent-4-enal (PubChem CID 173106151) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 2-ethenyl-2-hydroxypent-4-enal.

Molecular Properties

Compound Name2-ethenyl-2-hydroxypent-4-enal
PubChem CID173106151
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name2-ethenyl-2-hydroxypent-4-enal
SMILESC=CCC(O)(C=C)C=O
InChIInChI=1S/C7H10O2/c1-3-5-7(9,4-2)6-8/h3-4,6,9H,1-2,5H2
InChIKeyKIOLKXZMMJIJRB-UHFFFAOYSA-N
XLogP0.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methylhexa-1,5-dien-3-ol
CID 11564468
2-bromo-2-prop-2-enylpent-4-enal
CID 174833072
4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol
CID 87691553
2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol
CID 155341339
3-ethylpenta-1,4-dien-3-ol
CID 131852756
4-aminohepta-1,6-dien-4-ol
CID 87970022
2-prop-2-enylpent-4-ene-1,2-diol
CID 13218060
(4R,7S)-4,7-dimethyldeca-1,9-diene-4,7-diol
CID 92533073
3-ethenylpent-4-ene-1,3-diol
CID 57295100
1-bromo-3-hydroxy-3-prop-2-enylhex-5-en-2-one
CID 23007858
but-3-ene-1,1,1-tricarboxylic acid
CID 59237686
(2R)-2-phenyl-2-prop-2-enoxypent-4-enal
CID 101079976

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-hydroxypent-4-enal?
The IUPAC name of 2-ethenyl-2-hydroxypent-4-enal (CID 173106151) is 2-ethenyl-2-hydroxypent-4-enal.
What is the SMILES notation for 2-ethenyl-2-hydroxypent-4-enal?
The canonical SMILES for 2-ethenyl-2-hydroxypent-4-enal is C=CCC(O)(C=C)C=O.
What is the InChIKey of 2-ethenyl-2-hydroxypent-4-enal?
The InChIKey is KIOLKXZMMJIJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-5-7(9,4-2)6-8/h3-4,6,9H,1-2,5H2.
What are the key properties of 2-ethenyl-2-hydroxypent-4-enal?
2-ethenyl-2-hydroxypent-4-enal has a molecular weight of 126.15 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-hydroxypent-4-enal is sourced from PubChem (CID 173106151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).