34-hydroxytetratriacontanal

C34H68O2 — CID 123873694

IUPAC34-hydroxytetratriacontanal
SMILESO=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C34H68O2/c35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36/h33,36H,1-32,34H2
InChIKeyDFVCDZZBXNRWQH-UHFFFAOYSA-N
MW508.92 g/mol
LogP11.66
Rot. Bonds33

About 34-hydroxytetratriacontanal

34-hydroxytetratriacontanal (PubChem CID 123873694) has the molecular formula C34H68O2 and a molecular weight of 508.92 g/mol. Its IUPAC name is 34-hydroxytetratriacontanal.

Molecular Properties

Compound Name34-hydroxytetratriacontanal
PubChem CID123873694
Molecular FormulaC34H68O2
Molecular Weight508.92 g/mol
Exact Mass508.52
IUPAC Name34-hydroxytetratriacontanal
SMILESO=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C34H68O2/c35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36/h33,36H,1-32,34H2
InChIKeyDFVCDZZBXNRWQH-UHFFFAOYSA-N
XLogP11.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.92
LogP ≤ 511.66
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'}

Analyze 34-hydroxytetratriacontanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

25-hydroxypentacosanal
CID 90897330
17-hydroxyheptadecanal
CID 134210784
(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 34-hydroxytetratriacontanal?
The IUPAC name of 34-hydroxytetratriacontanal (CID 123873694) is 34-hydroxytetratriacontanal.
What is the SMILES notation for 34-hydroxytetratriacontanal?
The canonical SMILES for 34-hydroxytetratriacontanal is O=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 34-hydroxytetratriacontanal?
The InChIKey is DFVCDZZBXNRWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68O2/c35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36/h33,36H,1-32,34H2.
What are the key properties of 34-hydroxytetratriacontanal?
34-hydroxytetratriacontanal has a molecular weight of 508.92 g/mol, XLogP of 11.66, 33 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 34-hydroxytetratriacontanal is sourced from PubChem (CID 123873694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).