5,9-dimethylhexadecanal

C18H36O — CID 123900450

IUPAC5,9-dimethylhexadecanal
SMILESCCCCCCCC(C)CCCC(C)CCCC=O
InChIInChI=1S/C18H36O/c1-4-5-6-7-8-12-17(2)14-11-15-18(3)13-9-10-16-19/h16-18H,4-15H2,1-3H3
InChIKeyACCKMKBLBPRXDJ-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.16
Rot. Bonds14

About 5,9-dimethylhexadecanal

5,9-dimethylhexadecanal (PubChem CID 123900450) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 5,9-dimethylhexadecanal.

Molecular Properties

Compound Name5,9-dimethylhexadecanal
PubChem CID123900450
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name5,9-dimethylhexadecanal
SMILESCCCCCCCC(C)CCCC(C)CCCC=O
InChIInChI=1S/C18H36O/c1-4-5-6-7-8-12-17(2)14-11-15-18(3)13-9-10-16-19/h16-18H,4-15H2,1-3H3
InChIKeyACCKMKBLBPRXDJ-UHFFFAOYSA-N
XLogP6.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.16
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'}

Analyze 5,9-dimethylhexadecanal 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

7,11-dimethylpentatriacontane
CID 6430674
15,19-dimethylpentatriacontane
CID 521781
8,12,20-trimethyltetracontane
CID 6430679
(15R,19S)-15,19-dimethylheptatriacontane
CID 162889716
11,15-dimethylheptacosane
CID 6430046
10,14,18-trimethyldotriacontane
CID 86017574
10,14-dimethyltetratriacontane
CID 86017565
11,15-dimethyltritriacontane
CID 521778
6,10-dimethyloctadecane
CID 86144179
6,10,24,28-tetramethyloctatriacontane
CID 6430659
7,11,21-trimethylhentriacontane
CID 6430672
11,15-dimethyloctacosane
CID 71367376

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethylhexadecanal?
The IUPAC name of 5,9-dimethylhexadecanal (CID 123900450) is 5,9-dimethylhexadecanal.
What is the SMILES notation for 5,9-dimethylhexadecanal?
The canonical SMILES for 5,9-dimethylhexadecanal is CCCCCCCC(C)CCCC(C)CCCC=O.
What is the InChIKey of 5,9-dimethylhexadecanal?
The InChIKey is ACCKMKBLBPRXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-4-5-6-7-8-12-17(2)14-11-15-18(3)13-9-10-16-19/h16-18H,4-15H2,1-3H3.
What are the key properties of 5,9-dimethylhexadecanal?
5,9-dimethylhexadecanal has a molecular weight of 268.48 g/mol, XLogP of 6.16, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethylhexadecanal is sourced from PubChem (CID 123900450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).