4-hydroxynon-2-enal

C9H16O2 — CID 1693

IUPAC4-hydroxynon-2-enal
SMILESCCCCCC(O)C=CC=O
InChIInChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3
InChIKeyJVJFIQYAHPMBBX-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.68
Rot. Bonds6

About 4-hydroxynon-2-enal

4-hydroxynon-2-enal (PubChem CID 1693) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-hydroxynon-2-enal.

Molecular Properties

Compound Name4-hydroxynon-2-enal
PubChem CID1693
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name4-hydroxynon-2-enal
SMILESCCCCCC(O)C=CC=O
InChIInChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3
InChIKeyJVJFIQYAHPMBBX-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxynonenal
CID 5283344
4-Hydroperoxy-2-nonenal
CID 6435432
4-Hydroxy-2-decenal
CID 6439956
4-Hydroxy-2-octenal
CID 28551
4-Hydroxy-2-undecenal
CID 93127
(2E)-4-hydroxynon-2-enoic acid
CID 10442150
4-Hydroxyoctenal
CID 5283334
(2E)-4-Hydroxy-2-heptenal
CID 6433694
4-Hydroxy-2-nonenal, (+)-
CID 10997283
(E)-2-Nonene-1,4-diol
CID 14106146
1,4-Dihydroxy-2-nonene
CID 54541195
Seco-patulolide C
CID 122186343

Frequently Asked Questions

What is the IUPAC name of 4-hydroxynon-2-enal?
The IUPAC name of 4-hydroxynon-2-enal (CID 1693) is 4-hydroxynon-2-enal.
What is the SMILES notation for 4-hydroxynon-2-enal?
The canonical SMILES for 4-hydroxynon-2-enal is CCCCCC(O)C=CC=O.
What is the InChIKey of 4-hydroxynon-2-enal?
The InChIKey is JVJFIQYAHPMBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3.
What are the key properties of 4-hydroxynon-2-enal?
4-hydroxynon-2-enal has a molecular weight of 156.23 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxynon-2-enal is sourced from PubChem (CID 1693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).