17-hydroxyheptadecanal

C17H34O2 — CID 134210784

IUPAC17-hydroxyheptadecanal
SMILESO=CCCCCCCCCCCCCCCCCO
InChIInChI=1S/C17H34O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h16,19H,1-15,17H2
InChIKeyOXZMZOVNINYFKU-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.03
Rot. Bonds16

About 17-hydroxyheptadecanal

17-hydroxyheptadecanal (PubChem CID 134210784) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 17-hydroxyheptadecanal.

Molecular Properties

Compound Name17-hydroxyheptadecanal
PubChem CID134210784
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name17-hydroxyheptadecanal
SMILESO=CCCCCCCCCCCCCCCCCO
InChIInChI=1S/C17H34O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h16,19H,1-15,17H2
InChIKeyOXZMZOVNINYFKU-UHFFFAOYSA-N
XLogP5.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.03
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'}

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Related Compounds

25-hydroxypentacosanal
CID 90897330
34-hydroxytetratriacontanal
CID 123873694
(Z)-18-hydroxyoctadec-9-enal
CID 173172919
docosan-1-ol;icosanal;tricosan-1-ol
CID 161210257
disodium;18-hydroxyoctadecanal;sulfate
CID 173313883
10-[4-hydroxybutyl(10-oxodecyl)amino]decanal
CID 170733192
pentadecanedial
CID 22887412
ethane-1,2-diol;heptanal
CID 87390438
9-[heptyl(4-hydroxybutyl)amino]nonanal
CID 170023056
methyl 12-hydroxydodecanoate;methyl 12-oxododecanoate
CID 162225172
5-deuteriooxypentanal
CID 121289569
(9Z,12Z)-18-[(6Z,9Z)-18-hydroxyoctadeca-6,9-dienoxy]octadeca-9,12-dienal
CID 170322636

Frequently Asked Questions

What is the IUPAC name of 17-hydroxyheptadecanal?
The IUPAC name of 17-hydroxyheptadecanal (CID 134210784) is 17-hydroxyheptadecanal.
What is the SMILES notation for 17-hydroxyheptadecanal?
The canonical SMILES for 17-hydroxyheptadecanal is O=CCCCCCCCCCCCCCCCCO.
What is the InChIKey of 17-hydroxyheptadecanal?
The InChIKey is OXZMZOVNINYFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h16,19H,1-15,17H2.
What are the key properties of 17-hydroxyheptadecanal?
17-hydroxyheptadecanal has a molecular weight of 270.46 g/mol, XLogP of 5.03, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-hydroxyheptadecanal is sourced from PubChem (CID 134210784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).