2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one

C17H26O — CID 174440509

IUPAC2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one
SMILESCCC(CC(C)C)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H26O/c1-7-15(8-11(2)3)17(18)16-13(5)9-12(4)10-14(16)6/h9-11,15H,7-8H2,1-6H3
InChIKeyFTOXQMTXDLSMOJ-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.87
Rot. Bonds5

About 2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one

2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one (PubChem CID 174440509) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one.

Molecular Properties

Compound Name2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one
PubChem CID174440509
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one
SMILESCCC(CC(C)C)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H26O/c1-7-15(8-11(2)3)17(18)16-13(5)9-12(4)10-14(16)6/h9-11,15H,7-8H2,1-6H3
InChIKeyFTOXQMTXDLSMOJ-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
oxophosphanium;propyl 4-methyl-2-(2,4,6-trimethylbenzoyl)pentanoate
CID 160672424
(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 868051
1,2-bis(2,4,6-trimethylphenyl)propan-1-one
CID 14636852
2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone
CID 103513549
2-[1,3-dioxo-1,3-bis(2,4,6-trimethylphenyl)propan-2-yl]oxy-1,3-bis(2,4,6-trimethylphenyl)propane-1,3-dione
CID 141040043
3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
CID 116826580
N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide
CID 55243707
2-phosphoroso-1,3-bis(2,4,6-trimethylphenyl)propane-1,3-dione
CID 22735025
2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone
CID 82114243
2-(2,4,6-trimethylbenzoyl)pentanenitrile
CID 79405591
(4-butan-2-ylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337814

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one?
The IUPAC name of 2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one (CID 174440509) is 2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one.
What is the SMILES notation for 2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one?
The canonical SMILES for 2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one is CCC(CC(C)C)C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one?
The InChIKey is FTOXQMTXDLSMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-7-15(8-11(2)3)17(18)16-13(5)9-12(4)10-14(16)6/h9-11,15H,7-8H2,1-6H3.
What are the key properties of 2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one?
2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one has a molecular weight of 246.39 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one is sourced from PubChem (CID 174440509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).