4-methyltetradecan-6-one

C15H30O — CID 12635285

IUPAC4-methyltetradecan-6-one
SMILESCCCCCCCCC(=O)CC(C)CCC
InChIInChI=1S/C15H30O/c1-4-6-7-8-9-10-12-15(16)13-14(3)11-5-2/h14H,4-13H2,1-3H3
InChIKeyNPLAVOXUSVPQRH-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.13
Rot. Bonds11

About 4-methyltetradecan-6-one

4-methyltetradecan-6-one (PubChem CID 12635285) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 4-methyltetradecan-6-one.

Molecular Properties

Compound Name4-methyltetradecan-6-one
PubChem CID12635285
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name4-methyltetradecan-6-one
SMILESCCCCCCCCC(=O)CC(C)CCC
InChIInChI=1S/C15H30O/c1-4-6-7-8-9-10-12-15(16)13-14(3)11-5-2/h14H,4-13H2,1-3H3
InChIKeyNPLAVOXUSVPQRH-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyltridecan-7-one
CID 71413449
12-methylhenicosan-10-one
CID 71761778
2,4-dimethyltetradecan-6-one
CID 57292607
2-methylhexadecan-4-one
CID 63411798
4-hydroxytricosan-6-one
CID 131751829
1-methoxy-6-methylnonan-4-one
CID 65092431
2-hydroxyundecan-4-one
CID 57218315
6,10-dimethylpentadecan-8-one
CID 150688801
4-aminotridecan-6-one
CID 116607784
methyl (3R)-3-methyl-5-oxoundecanoate
CID 13198418
2-methylhexadecane-4,7-dione
CID 57053022
1-hydroxy-3-oxononane-1-sulfonic acid
CID 11687549

Frequently Asked Questions

What is the IUPAC name of 4-methyltetradecan-6-one?
The IUPAC name of 4-methyltetradecan-6-one (CID 12635285) is 4-methyltetradecan-6-one.
What is the SMILES notation for 4-methyltetradecan-6-one?
The canonical SMILES for 4-methyltetradecan-6-one is CCCCCCCCC(=O)CC(C)CCC.
What is the InChIKey of 4-methyltetradecan-6-one?
The InChIKey is NPLAVOXUSVPQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-4-6-7-8-9-10-12-15(16)13-14(3)11-5-2/h14H,4-13H2,1-3H3.
What are the key properties of 4-methyltetradecan-6-one?
4-methyltetradecan-6-one 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 4-methyltetradecan-6-one is sourced from PubChem (CID 12635285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).