2,2-diethylundecanal

C15H30O — CID 152675442

IUPAC2,2-diethylundecanal
SMILESCCCCCCCCCC(C=O)(CC)CC
InChIInChI=1S/C15H30O/c1-4-7-8-9-10-11-12-13-15(5-2,6-3)14-16/h14H,4-13H2,1-3H3
InChIKeyZMKOCZLHYHWDMA-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.13
Rot. Bonds11

About 2,2-diethylundecanal

2,2-diethylundecanal (PubChem CID 152675442) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 2,2-diethylundecanal.

Molecular Properties

Compound Name2,2-diethylundecanal
PubChem CID152675442
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name2,2-diethylundecanal
SMILESCCCCCCCCCC(C=O)(CC)CC
InChIInChI=1S/C15H30O/c1-4-7-8-9-10-11-12-13-15(5-2,6-3)14-16/h14H,4-13H2,1-3H3
InChIKeyZMKOCZLHYHWDMA-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.13
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

(2-ethyl-2-formyloctyl) acetate
CID 173378427
2,2-diethylhexadecanethial
CID 22725707
2-methyl-2-sulfanyldecanal
CID 154228508
2-bromo-2-ethyldodecanal
CID 11623442
2,2-diaminononadecanal
CID 174639671
2,2-difluorodecanal
CID 14644932
2-hydroxy-2-methylundecanal
CID 66038378
(2R)-2-amino-2-methylnonanal
CID 145052924
2-amino-2-methylundecanal
CID 175716419
2,3-diamino-2-hexylpentanedial
CID 54424040
2,2-dimethoxyheptadecanal
CID 142766531
6,6-difluorododecanal
CID 143801183

Frequently Asked Questions

What is the IUPAC name of 2,2-diethylundecanal?
The IUPAC name of 2,2-diethylundecanal (CID 152675442) is 2,2-diethylundecanal.
What is the SMILES notation for 2,2-diethylundecanal?
The canonical SMILES for 2,2-diethylundecanal is CCCCCCCCCC(C=O)(CC)CC.
What is the InChIKey of 2,2-diethylundecanal?
The InChIKey is ZMKOCZLHYHWDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-7-8-9-10-11-12-13-15(5-2,6-3)14-16/h14H,4-13H2,1-3H3.
What are the key properties of 2,2-diethylundecanal?
2,2-diethylundecanal has a molecular weight of 226.40 g/mol, XLogP of 5.13, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethylundecanal is sourced from PubChem (CID 152675442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).