22-methyltricosanal

C24H48O — CID 86049143

IUPAC22-methyltricosanal
SMILESCC(C)CCCCCCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C24H48O/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25/h23-24H,3-22H2,1-2H3
InChIKeyUIBJQQLEWNKSHN-UHFFFAOYSA-N
MW352.65 g/mol
LogP8.64
Rot. Bonds21

About 22-methyltricosanal

22-methyltricosanal (PubChem CID 86049143) has the molecular formula C24H48O and a molecular weight of 352.65 g/mol. Its IUPAC name is 22-methyltricosanal.

Molecular Properties

Compound Name22-methyltricosanal
PubChem CID86049143
Molecular FormulaC24H48O
Molecular Weight352.65 g/mol
Exact Mass352.37
IUPAC Name22-methyltricosanal
SMILESCC(C)CCCCCCCCCCCCCCCCCCCCC=O
InChIInChI=1S/C24H48O/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25/h23-24H,3-22H2,1-2H3
InChIKeyUIBJQQLEWNKSHN-UHFFFAOYSA-N
XLogP8.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

12-methyltridecanal
CID 146297718
18-methylnonadecanal
CID 22123977
methane;12-methyltridecanal
CID 175307429
alumane;6-methylheptanal
CID 174999973
disodium;hydride;16-methylheptadecanal;propanoic acid
CID 174913733
12-hydroxytridecanal
CID 11961599
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(E)-13-methyltetradec-2-enal
CID 11333582
pentadecanedial
CID 22887412
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647

Frequently Asked Questions

What is the IUPAC name of 22-methyltricosanal?
The IUPAC name of 22-methyltricosanal (CID 86049143) is 22-methyltricosanal.
What is the SMILES notation for 22-methyltricosanal?
The canonical SMILES for 22-methyltricosanal is CC(C)CCCCCCCCCCCCCCCCCCCCC=O.
What is the InChIKey of 22-methyltricosanal?
The InChIKey is UIBJQQLEWNKSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25/h23-24H,3-22H2,1-2H3.
What are the key properties of 22-methyltricosanal?
22-methyltricosanal has a molecular weight of 352.65 g/mol, XLogP of 8.64, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 22-methyltricosanal is sourced from PubChem (CID 86049143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).