(E)-4-hydroxynon-2-enal

C9H16O2 — CID 5283344

IUPAC(E)-4-hydroxynon-2-enal
SMILESCCCCCC(O)/C=C/C=O
InChIInChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+
InChIKeyJVJFIQYAHPMBBX-FNORWQNLSA-N
MW156.23 g/mol
LogP1.68
Rot. Bonds6

About (E)-4-hydroxynon-2-enal

(E)-4-hydroxynon-2-enal (PubChem CID 5283344) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is (E)-4-hydroxynon-2-enal.

Molecular Properties

Compound Name(E)-4-hydroxynon-2-enal
PubChem CID5283344
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name(E)-4-hydroxynon-2-enal
SMILESCCCCCC(O)/C=C/C=O
InChIInChI=1S/C9H16O2/c1-2-3-4-6-9(11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+
InChIKeyJVJFIQYAHPMBBX-FNORWQNLSA-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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Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxynon-2-enal?
The IUPAC name of (E)-4-hydroxynon-2-enal (CID 5283344) is (E)-4-hydroxynon-2-enal.
What is the SMILES notation for (E)-4-hydroxynon-2-enal?
The canonical SMILES for (E)-4-hydroxynon-2-enal is CCCCCC(O)/C=C/C=O.
What is the InChIKey of (E)-4-hydroxynon-2-enal?
The InChIKey is JVJFIQYAHPMBBX-FNORWQNLSA-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/b7-5+.
What are the key properties of (E)-4-hydroxynon-2-enal?
(E)-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 (E)-4-hydroxynon-2-enal is sourced from PubChem (CID 5283344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).