2,4-dimethyltetradecan-6-one

C16H32O — CID 57292607

IUPAC2,4-dimethyltetradecan-6-one
SMILESCCCCCCCCC(=O)CC(C)CC(C)C
InChIInChI=1S/C16H32O/c1-5-6-7-8-9-10-11-16(17)13-15(4)12-14(2)3/h14-15H,5-13H2,1-4H3
InChIKeyBYAGFFOKBGVTRN-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.38
Rot. Bonds11

About 2,4-dimethyltetradecan-6-one

2,4-dimethyltetradecan-6-one (PubChem CID 57292607) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 2,4-dimethyltetradecan-6-one.

Molecular Properties

Compound Name2,4-dimethyltetradecan-6-one
PubChem CID57292607
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name2,4-dimethyltetradecan-6-one
SMILESCCCCCCCCC(=O)CC(C)CC(C)C
InChIInChI=1S/C16H32O/c1-5-6-7-8-9-10-11-16(17)13-15(4)12-14(2)3/h14-15H,5-13H2,1-4H3
InChIKeyBYAGFFOKBGVTRN-UHFFFAOYSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylhexadecan-4-one
CID 63411798
4-methyltetradecan-6-one
CID 12635285
5-methyltridecan-7-one
CID 71413449
12-methylhenicosan-10-one
CID 71761778
(2R)-2-amino-4-methyl-6-oxohenicosanoic acid
CID 90102873
2-methylhexadecane-4,7-dione
CID 57053022
(4R)-4-(aminomethyl)-2-methyldodecan-6-one
CID 126693960
2-hydroxyundecan-4-one
CID 57218315
methyl (3R)-3-methyl-5-oxoundecanoate
CID 13198418
14-ethyl-13-hydroxy-11,13,15,17-tetramethyloctadecan-9-one
CID 123797490
1-hydroxy-3-oxononane-1-sulfonic acid
CID 11687549
(2R)-N-dodecyl-2-(2-methylpropyl)-4-oxohenicosanamide
CID 158633377

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyltetradecan-6-one?
The IUPAC name of 2,4-dimethyltetradecan-6-one (CID 57292607) is 2,4-dimethyltetradecan-6-one.
What is the SMILES notation for 2,4-dimethyltetradecan-6-one?
The canonical SMILES for 2,4-dimethyltetradecan-6-one is CCCCCCCCC(=O)CC(C)CC(C)C.
What is the InChIKey of 2,4-dimethyltetradecan-6-one?
The InChIKey is BYAGFFOKBGVTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-5-6-7-8-9-10-11-16(17)13-15(4)12-14(2)3/h14-15H,5-13H2,1-4H3.
What are the key properties of 2,4-dimethyltetradecan-6-one?
2,4-dimethyltetradecan-6-one has a molecular weight of 240.43 g/mol, XLogP of 5.38, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyltetradecan-6-one is sourced from PubChem (CID 57292607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).