2,9-dimethyldecanal

C12H24O — CID 21437669

IUPAC2,9-dimethyldecanal
SMILESCC(C)CCCCCCC(C)C=O
InChIInChI=1S/C12H24O/c1-11(2)8-6-4-5-7-9-12(3)10-13/h10-12H,4-9H2,1-3H3
InChIKeyLMFHYXWBBPHCRP-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.82
Rot. Bonds8

About 2,9-dimethyldecanal

2,9-dimethyldecanal (PubChem CID 21437669) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2,9-dimethyldecanal.

Molecular Properties

Compound Name2,9-dimethyldecanal
PubChem CID21437669
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2,9-dimethyldecanal
SMILESCC(C)CCCCCCC(C)C=O
InChIInChI=1S/C12H24O/c1-11(2)8-6-4-5-7-9-12(3)10-13/h10-12H,4-9H2,1-3H3
InChIKeyLMFHYXWBBPHCRP-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.82
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 2,9-dimethyldecanal 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

2,6,10,14-tetramethylpentadecanal
CID 14671060
2-methyldodecanal
CID 87784106
9-hydroxy-2-methylnonanal
CID 140839746
15-hydroxy-2-methylpentadecanal
CID 140839749
(2S)-6-hydroxy-2-methylhexanal
CID 129362666
2-methylundec-10-enal
CID 547085
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
16-methyl-2-propan-2-ylheptadecanal
CID 19810327
22-methyltricosa-2,4-dienedial
CID 123901911
1-methyltricosane-1,6,12,19-tetracarbaldehyde
CID 174477373
(2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal
CID 139263692

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyldecanal?
The IUPAC name of 2,9-dimethyldecanal (CID 21437669) is 2,9-dimethyldecanal.
What is the SMILES notation for 2,9-dimethyldecanal?
The canonical SMILES for 2,9-dimethyldecanal is CC(C)CCCCCCC(C)C=O.
What is the InChIKey of 2,9-dimethyldecanal?
The InChIKey is LMFHYXWBBPHCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-11(2)8-6-4-5-7-9-12(3)10-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 2,9-dimethyldecanal?
2,9-dimethyldecanal has a molecular weight of 184.32 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyldecanal is sourced from PubChem (CID 21437669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).