(4S)-4-hydroxynon-2-enal

C9H16O2 — CID 173082436

IUPAC(4S)-4-hydroxynon-2-enal
SMILESCCCCC[C@H](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/t9-/m0/s1
InChIKeyJVJFIQYAHPMBBX-VIFPVBQESA-N
MW156.23 g/mol
LogP1.68
Rot. Bonds6

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

(4S)-4-hydroxynon-2-enal (PubChem CID 173082436) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is (4S)-4-hydroxynon-2-enal.

Molecular Properties

Compound Name(4S)-4-hydroxynon-2-enal
PubChem CID173082436
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name(4S)-4-hydroxynon-2-enal
SMILESCCCCC[C@H](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/t9-/m0/s1
InChIKeyJVJFIQYAHPMBBX-VIFPVBQESA-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-hydroxynonadec-2-enal
CID 3025773
4-hydroxyoctadec-2-enal
CID 3025772
(E)-4-hydroxydec-2-enal
CID 6439956
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
(2E,4E,6E)-trideca-2,4,6-triene-1,8-diol
CID 10846135
(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 70674061
(E,3S)-1-iodooct-1-en-3-ol
CID 10988815
(Z)-undec-2-en-4-ol
CID 14320443
(E)-1-chlorooct-1-en-3-ol
CID 14723484
2-hydroxyhexanal;2-hydroxyoctanal
CID 146305584
(3S)-1-iodooct-1-en-3-ol
CID 54007858
(3R)-1-iodooct-1-en-3-ol
CID 54007857

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxynon-2-enal?
The IUPAC name of (4S)-4-hydroxynon-2-enal (CID 173082436) is (4S)-4-hydroxynon-2-enal.
What is the SMILES notation for (4S)-4-hydroxynon-2-enal?
The canonical SMILES for (4S)-4-hydroxynon-2-enal is CCCCC[C@H](O)C=CC=O.
What is the InChIKey of (4S)-4-hydroxynon-2-enal?
The InChIKey is JVJFIQYAHPMBBX-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of (4S)-4-hydroxynon-2-enal?
(4S)-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 (4S)-4-hydroxynon-2-enal is sourced from PubChem (CID 173082436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).