25-hydroxypentacosanal

C25H50O2 — CID 90897330

IUPAC25-hydroxypentacosanal
SMILESO=CCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C25H50O2/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27/h24,27H,1-23,25H2
InChIKeySAAXGQCGSBZDNC-UHFFFAOYSA-N
MW382.67 g/mol
LogP8.15
Rot. Bonds24

About 25-hydroxypentacosanal

25-hydroxypentacosanal (PubChem CID 90897330) has the molecular formula C25H50O2 and a molecular weight of 382.67 g/mol. Its IUPAC name is 25-hydroxypentacosanal.

Molecular Properties

Compound Name25-hydroxypentacosanal
PubChem CID90897330
Molecular FormulaC25H50O2
Molecular Weight382.67 g/mol
Exact Mass382.38
IUPAC Name25-hydroxypentacosanal
SMILESO=CCCCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C25H50O2/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27/h24,27H,1-23,25H2
InChIKeySAAXGQCGSBZDNC-UHFFFAOYSA-N
XLogP8.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.67
LogP ≤ 58.15
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

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(Z)-18-hydroxyoctadec-9-enal
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docosan-1-ol;icosanal;tricosan-1-ol
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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 25-hydroxypentacosanal?
The IUPAC name of 25-hydroxypentacosanal (CID 90897330) is 25-hydroxypentacosanal.
What is the SMILES notation for 25-hydroxypentacosanal?
The canonical SMILES for 25-hydroxypentacosanal is O=CCCCCCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 25-hydroxypentacosanal?
The InChIKey is SAAXGQCGSBZDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O2/c26-24-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23-25-27/h24,27H,1-23,25H2.
What are the key properties of 25-hydroxypentacosanal?
25-hydroxypentacosanal has a molecular weight of 382.67 g/mol, XLogP of 8.15, 24 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 25-hydroxypentacosanal is sourced from PubChem (CID 90897330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).