2-methyldecanal;undecanal

C22H44O2 — CID 159845344

IUPAC2-methyldecanal;undecanal
SMILESCCCCCCCCC(C)C=O.CCCCCCCCCCC=O
InChIInChI=1S/2C11H22O/c1-3-4-5-6-7-8-9-11(2)10-12;1-2-3-4-5-6-7-8-9-10-11-12/h10-11H,3-9H2,1-2H3;11H,2-10H2,1H3
InChIKeyNPFLXCMRTKOGIT-UHFFFAOYSA-N
MW340.59 g/mol
LogP7.29
Rot. Bonds17

About 2-methyldecanal;undecanal

2-methyldecanal;undecanal (PubChem CID 159845344) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 2-methyldecanal;undecanal.

Molecular Properties

Compound Name2-methyldecanal;undecanal
PubChem CID159845344
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Name2-methyldecanal;undecanal
SMILESCCCCCCCCC(C)C=O.CCCCCCCCCCC=O
InChIInChI=1S/2C11H22O/c1-3-4-5-6-7-8-9-11(2)10-12;1-2-3-4-5-6-7-8-9-10-11-12/h10-11H,3-9H2,1-2H3;11H,2-10H2,1H3
InChIKeyNPFLXCMRTKOGIT-UHFFFAOYSA-N
XLogP7.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 57.29
H-Bond Donors ≤ 50
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

2-Methylundecanal
CID 61031
3,7-Dimethyloctanal
CID 110747
2-Methyloctanal
CID 24583
12-Methyltridecanal
CID 3018619
Isodecylaldehyde
CID 14862
2-Methyldecanal
CID 29381
4-Ethyloctanal
CID 21918450
6-Methylheptanal
CID 104307
2,6-Dimethyloctanal
CID 5463910
12-Methyltetradecanal
CID 3018620
6-Methyloctanal
CID 14297102
2,6,10,14-Tetramethylpentadecanal
CID 14671060

Frequently Asked Questions

What is the IUPAC name of 2-methyldecanal;undecanal?
The IUPAC name of 2-methyldecanal;undecanal (CID 159845344) is 2-methyldecanal;undecanal.
What is the SMILES notation for 2-methyldecanal;undecanal?
The canonical SMILES for 2-methyldecanal;undecanal is CCCCCCCCC(C)C=O.CCCCCCCCCCC=O.
What is the InChIKey of 2-methyldecanal;undecanal?
The InChIKey is NPFLXCMRTKOGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22O/c1-3-4-5-6-7-8-9-11(2)10-12;1-2-3-4-5-6-7-8-9-10-11-12/h10-11H,3-9H2,1-2H3;11H,2-10H2,1H3.
What are the key properties of 2-methyldecanal;undecanal?
2-methyldecanal;undecanal has a molecular weight of 340.59 g/mol, XLogP of 7.29, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldecanal;undecanal is sourced from PubChem (CID 159845344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).