(Z)-4-hydroxyoctadec-9-enal

C18H34O2 — CID 173341795

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

About (Z)-4-hydroxyoctadec-9-enal

(Z)-4-hydroxyoctadec-9-enal (PubChem CID 173341795) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (Z)-4-hydroxyoctadec-9-enal.

Molecular Properties

Compound Name(Z)-4-hydroxyoctadec-9-enal
PubChem CID173341795
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(Z)-4-hydroxyoctadec-9-enal
SMILESCCCCCCCC/C=C\CCCCC(O)CCC=O
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(20)16-14-17-19/h9-10,17-18,20H,2-8,11-16H2,1H3/b10-9-
InChIKeyOJIFNTAXKOGEJF-KTKRTIGZSA-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

(Z)-tetracos-6-en-10-ol
CID 168947717
octacos-21-en-10-ol
CID 163011476
henicosa-6,15-dien-10-ol
CID 141379717
(E)-12-hydroxyoctadec-9-enal
CID 87273358
3-hydroxyhexadec-9-enal
CID 175100822
N-[(Z)-4-hydroxydocos-13-enyl]formamide
CID 155296496
(E)-hentetracont-36-en-5-ol
CID 87492179
6-hydroxydecanal
CID 86178467
3-hydroxytetradec-9-enal
CID 91388067
octadec-4-ene-1,8-diol
CID 123554473
(Z)-pentadec-8-en-6-ol
CID 10398809
(Z)-octadec-10-en-8-ol
CID 173051806

Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxyoctadec-9-enal?
The IUPAC name of (Z)-4-hydroxyoctadec-9-enal (CID 173341795) is (Z)-4-hydroxyoctadec-9-enal.
What is the SMILES notation for (Z)-4-hydroxyoctadec-9-enal?
The canonical SMILES for (Z)-4-hydroxyoctadec-9-enal is CCCCCCCC/C=C\CCCCC(O)CCC=O.
What is the InChIKey of (Z)-4-hydroxyoctadec-9-enal?
The InChIKey is OJIFNTAXKOGEJF-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(20)16-14-17-19/h9-10,17-18,20H,2-8,11-16H2,1H3/b10-9-.
What are the key properties of (Z)-4-hydroxyoctadec-9-enal?
(Z)-4-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 (Z)-4-hydroxyoctadec-9-enal is sourced from PubChem (CID 173341795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).