(Z)-18-hydroxyoctadec-9-enal

C18H34O2 — CID 173172919

IUPAC(Z)-18-hydroxyoctadec-9-enal
SMILESO=CCCCCCCC/C=C\CCCCCCCCO
InChIInChI=1S/C18H34O2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h1-2,17,20H,3-16,18H2/b2-1-
InChIKeyYGECYSBHRISSRM-UPHRSURJSA-N
MW282.47 g/mol
LogP5.20
Rot. Bonds16

About (Z)-18-hydroxyoctadec-9-enal

(Z)-18-hydroxyoctadec-9-enal (PubChem CID 173172919) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (Z)-18-hydroxyoctadec-9-enal.

Molecular Properties

Compound Name(Z)-18-hydroxyoctadec-9-enal
PubChem CID173172919
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(Z)-18-hydroxyoctadec-9-enal
SMILESO=CCCCCCCC/C=C\CCCCCCCCO
InChIInChI=1S/C18H34O2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h1-2,17,20H,3-16,18H2/b2-1-
InChIKeyYGECYSBHRISSRM-UPHRSURJSA-N
XLogP5.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.20
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

25-hydroxypentacosanal
CID 90897330
34-hydroxytetratriacontanal
CID 123873694
17-hydroxyheptadecanal
CID 134210784
hexadec-8-ene-1,16-diol
CID 54395986
(7Z,11Z)-octadeca-7,11-diene-1,18-diol
CID 171904791
(9Z,12Z)-18-[(6Z,9Z)-18-hydroxyoctadeca-6,9-dienoxy]octadeca-9,12-dienal
CID 170322636
30-hydroxytriaconta-3,13,18,21-tetraenal
CID 54434513
docosan-1-ol;icosanal;tricosan-1-ol
CID 161210257
disodium;18-hydroxyoctadecanal;sulfate
CID 173313883
10-[4-hydroxybutyl(10-oxodecyl)amino]decanal
CID 170733192
triaconta-9,17,19-trienedial
CID 54176799
pentadecanedial
CID 22887412

Frequently Asked Questions

What is the IUPAC name of (Z)-18-hydroxyoctadec-9-enal?
The IUPAC name of (Z)-18-hydroxyoctadec-9-enal (CID 173172919) is (Z)-18-hydroxyoctadec-9-enal.
What is the SMILES notation for (Z)-18-hydroxyoctadec-9-enal?
The canonical SMILES for (Z)-18-hydroxyoctadec-9-enal is O=CCCCCCCC/C=C\CCCCCCCCO.
What is the InChIKey of (Z)-18-hydroxyoctadec-9-enal?
The InChIKey is YGECYSBHRISSRM-UPHRSURJSA-N. The full InChI is InChI=1S/C18H34O2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h1-2,17,20H,3-16,18H2/b2-1-.
What are the key properties of (Z)-18-hydroxyoctadec-9-enal?
(Z)-18-hydroxyoctadec-9-enal has a molecular weight of 282.47 g/mol, XLogP of 5.20, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-18-hydroxyoctadec-9-enal is sourced from PubChem (CID 173172919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).