4-hydroxyoctadec-2-enal

C18H34O2 — CID 3025772

IUPAC4-hydroxyoctadec-2-enal
SMILESCCCCCCCCCCCCCCC(O)C=CC=O
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(20)16-14-17-19/h14,16-18,20H,2-13,15H2,1H3
InChIKeyUSLARJCWWSVJJH-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.19
Rot. Bonds15

About 4-hydroxyoctadec-2-enal

4-hydroxyoctadec-2-enal (PubChem CID 3025772) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-hydroxyoctadec-2-enal.

Molecular Properties

Compound Name4-hydroxyoctadec-2-enal
PubChem CID3025772
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name4-hydroxyoctadec-2-enal
SMILESCCCCCCCCCCCCCCC(O)C=CC=O
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(20)16-14-17-19/h14,16-18,20H,2-13,15H2,1H3
InChIKeyUSLARJCWWSVJJH-UHFFFAOYSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxynonadec-2-enal
CID 3025773
(E)-4-hydroxydec-2-enal
CID 6439956
(4S)-4-hydroxynon-2-enal
CID 173082436
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
2-hydroxyhexanal;2-hydroxyoctanal
CID 146305584
(Z)-undec-2-en-4-ol
CID 14320443
(2E,4Z,6E,8E,10Z,12E)-14-hydroxydocosa-2,4,6,8,10,12-hexaenoic acid
CID 70674061
octadec-3-en-5-ol
CID 144649733
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10020286
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375
(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194
4-hydroxyheptacos-2-enoic acid
CID 88698148

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyoctadec-2-enal?
The IUPAC name of 4-hydroxyoctadec-2-enal (CID 3025772) is 4-hydroxyoctadec-2-enal.
What is the SMILES notation for 4-hydroxyoctadec-2-enal?
The canonical SMILES for 4-hydroxyoctadec-2-enal is CCCCCCCCCCCCCCC(O)C=CC=O.
What is the InChIKey of 4-hydroxyoctadec-2-enal?
The InChIKey is USLARJCWWSVJJH-UHFFFAOYSA-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/h14,16-18,20H,2-13,15H2,1H3.
What are the key properties of 4-hydroxyoctadec-2-enal?
4-hydroxyoctadec-2-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 4-hydroxyoctadec-2-enal is sourced from PubChem (CID 3025772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).