5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one

C16H24O — CID 83928229

IUPAC5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one
SMILESCCC(=O)C(c1c(C)cc(C)cc1C)C(C)C
InChIInChI=1S/C16H24O/c1-7-14(17)15(10(2)3)16-12(5)8-11(4)9-13(16)6/h8-10,15H,7H2,1-6H3
InChIKeyROGOCBHDTGLKHO-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.33
Rot. Bonds4

About 5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one

5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one (PubChem CID 83928229) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one.

Molecular Properties

Compound Name5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one
PubChem CID83928229
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one
SMILESCCC(=O)C(c1c(C)cc(C)cc1C)C(C)C
InChIInChI=1S/C16H24O/c1-7-14(17)15(10(2)3)16-12(5)8-11(4)9-13(16)6/h8-10,15H,7H2,1-6H3
InChIKeyROGOCBHDTGLKHO-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-(2,4,6-trimethylphenyl)butanethioamide
CID 82083484
4-(4-bromo-3-methylphenyl)-5-methylhexan-3-one
CID 83936295
4-(5-tert-butyl-2-methylphenyl)-5-methylhexan-3-one
CID 83935348
(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 54026726
1,3,5-trimethyl-2-(2-methylpentan-3-yl)benzene
CID 57184197
ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate
CID 134847476
2-chloro-N-propyl-2-(2,4,6-trimethylphenyl)acetamide
CID 62226068
3-phenyl-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82139246
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
2-(3-chloropentan-2-yl)-1,3,5-trimethylbenzene
CID 79307998
1,2-bis(2,4,6-trimethylphenyl)propan-1-one
CID 14636852
ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate
CID 55120967

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one?
The IUPAC name of 5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one (CID 83928229) is 5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one.
What is the SMILES notation for 5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one?
The canonical SMILES for 5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one is CCC(=O)C(c1c(C)cc(C)cc1C)C(C)C.
What is the InChIKey of 5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one?
The InChIKey is ROGOCBHDTGLKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-7-14(17)15(10(2)3)16-12(5)8-11(4)9-13(16)6/h8-10,15H,7H2,1-6H3.
What are the key properties of 5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one?
5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one has a molecular weight of 232.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2,4,6-trimethylphenyl)hexan-3-one is sourced from PubChem (CID 83928229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).