(E)-2-hydroxyoctadec-9-enal

C18H34O2 — CID 88545157

IUPAC(E)-2-hydroxyoctadec-9-enal
SMILESCCCCCCCC/C=C/CCCCCCC(O)C=O
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h9-10,17-18,20H,2-8,11-16H2,1H3/b10-9+
InChIKeyVSLSQYYMSDPALV-MDZDMXLPSA-N
MW282.47 g/mol
LogP5.19
Rot. Bonds15

About (E)-2-hydroxyoctadec-9-enal

(E)-2-hydroxyoctadec-9-enal (PubChem CID 88545157) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (E)-2-hydroxyoctadec-9-enal.

Molecular Properties

Compound Name(E)-2-hydroxyoctadec-9-enal
PubChem CID88545157
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(E)-2-hydroxyoctadec-9-enal
SMILESCCCCCCCC/C=C/CCCCCCC(O)C=O
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h9-10,17-18,20H,2-8,11-16H2,1H3/b10-9+
InChIKeyVSLSQYYMSDPALV-MDZDMXLPSA-N
XLogP5.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.19
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

icosa-7,15-diene-6,9-diol
CID 57175111
henicos-7-en-6-ol
CID 91409967
(4E,12E)-14-hydroxyicosa-4,12-dienoic acid
CID 102068269
(Z)-octacos-19-ene-10,11-diol
CID 87651448
octacos-21-en-10-ol
CID 163011476
3-hydroxyhexadec-9-enal
CID 175100822
(Z)-4-hydroxyoctadec-9-enal
CID 173341795
icos-9-en-2-ol
CID 91416664
(Z)-henicos-12-en-2-ol
CID 141141779
heptadec-9-en-2-ol
CID 54154410
sodium (Z)-2-hydroxyicos-11-enoate
CID 141048065
(11Z,14Z)-icosa-1,11,14-trien-3-ol
CID 176937263

Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxyoctadec-9-enal?
The IUPAC name of (E)-2-hydroxyoctadec-9-enal (CID 88545157) is (E)-2-hydroxyoctadec-9-enal.
What is the SMILES notation for (E)-2-hydroxyoctadec-9-enal?
The canonical SMILES for (E)-2-hydroxyoctadec-9-enal is CCCCCCCC/C=C/CCCCCCC(O)C=O.
What is the InChIKey of (E)-2-hydroxyoctadec-9-enal?
The InChIKey is VSLSQYYMSDPALV-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h9-10,17-18,20H,2-8,11-16H2,1H3/b10-9+.
What are the key properties of (E)-2-hydroxyoctadec-9-enal?
(E)-2-hydroxyoctadec-9-enal has a molecular weight of 282.47 g/mol, XLogP of 5.19, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxyoctadec-9-enal is sourced from PubChem (CID 88545157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).