(E)-5-hydroxynon-2-enal

C9H16O2 — CID 87252124

IUPAC(E)-5-hydroxynon-2-enal
SMILESCCCCC(O)C/C=C/C=O
InChIInChI=1S/C9H16O2/c1-2-3-6-9(11)7-4-5-8-10/h4-5,8-9,11H,2-3,6-7H2,1H3/b5-4+
InChIKeyHLRRIVDCMLHPAB-SNAWJCMRSA-N
MW156.23 g/mol
LogP1.68
Rot. Bonds6

About (E)-5-hydroxynon-2-enal

(E)-5-hydroxynon-2-enal (PubChem CID 87252124) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is (E)-5-hydroxynon-2-enal.

Molecular Properties

Compound Name(E)-5-hydroxynon-2-enal
PubChem CID87252124
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name(E)-5-hydroxynon-2-enal
SMILESCCCCC(O)C/C=C/C=O
InChIInChI=1S/C9H16O2/c1-2-3-6-9(11)7-4-5-8-10/h4-5,8-9,11H,2-3,6-7H2,1H3/b5-4+
InChIKeyHLRRIVDCMLHPAB-SNAWJCMRSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxynonenal
CID 5283344
4-Hydroxy-2-decenal
CID 6439956
4-Hydroxynon-2-Enal
CID 1693
4-Hydroxy-2-octenal
CID 28551
4-Hydroxy-2-undecenal
CID 93127
4-Hydroxyoctenal
CID 5283334
4-Hydroxy-2-nonenal, (+)-
CID 10997283
(2E,4R)-4-hydroxynon-2-enal
CID 11957428
(2E,8E,10R)-10-hydroxypentadeca-2,8-dien-4,6-diynal
CID 162954903
4-Hydroxy-dec-2-en-1-al
CID 147309
4-Hydroxy-2,3-trans-nonenal
CID 6433714
Undecenal, 4-hydroxy-
CID 6440485

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxynon-2-enal?
The IUPAC name of (E)-5-hydroxynon-2-enal (CID 87252124) is (E)-5-hydroxynon-2-enal.
What is the SMILES notation for (E)-5-hydroxynon-2-enal?
The canonical SMILES for (E)-5-hydroxynon-2-enal is CCCCC(O)C/C=C/C=O.
What is the InChIKey of (E)-5-hydroxynon-2-enal?
The InChIKey is HLRRIVDCMLHPAB-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-6-9(11)7-4-5-8-10/h4-5,8-9,11H,2-3,6-7H2,1H3/b5-4+.
What are the key properties of (E)-5-hydroxynon-2-enal?
(E)-5-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)-5-hydroxynon-2-enal is sourced from PubChem (CID 87252124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).