ethane;1-(2,3,6-trimethylphenyl)ethanone

C15H26O — CID 155747845

IUPACethane;1-(2,3,6-trimethylphenyl)ethanone
SMILESCC.CC.CC(=O)c1c(C)ccc(C)c1C
InChIInChI=1S/C11H14O.2C2H6/c1-7-5-6-8(2)11(9(7)3)10(4)12;2*1-2/h5-6H,1-4H3;2*1-2H3
InChIKeyKZGXMVSYYKWEAX-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.87
Rot. Bonds1

About ethane;1-(2,3,6-trimethylphenyl)ethanone

ethane;1-(2,3,6-trimethylphenyl)ethanone (PubChem CID 155747845) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is ethane;1-(2,3,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Nameethane;1-(2,3,6-trimethylphenyl)ethanone
PubChem CID155747845
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Nameethane;1-(2,3,6-trimethylphenyl)ethanone
SMILESCC.CC.CC(=O)c1c(C)ccc(C)c1C
InChIInChI=1S/C11H14O.2C2H6/c1-7-5-6-8(2)11(9(7)3)10(4)12;2*1-2/h5-6H,1-4H3;2*1-2H3
InChIKeyKZGXMVSYYKWEAX-UHFFFAOYSA-N
XLogP4.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-acetyl-3,4-dimethylphenyl)ethanone;methane
CID 175205419
1-(2-fluoro-3,6-dimethylphenyl)ethanone
CID 84765074
2,3,6-trimethylbenzoyl chloride
CID 20662008
aluminum tris(2,3,6-trimethylbenzoate)
CID 22604250
carbanide;1-(2,6-dimethylphenyl)ethanone;yttrium
CID 159397931
1-(2,3,4-trimethylphenyl)ethanone
CID 590291
phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
ethyl 2,3,6-trimethylbenzoate
CID 13126297
1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone
CID 13406383
1-[3,6-dimethyl-2-(2,4,6-trimethylbenzoyl)phenyl]ethanone
CID 18717540
bis(6-chloro-2,3-dimethylphenyl)methanone
CID 139698463
N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide
CID 171383887

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2,3,6-trimethylphenyl)ethanone?
The IUPAC name of ethane;1-(2,3,6-trimethylphenyl)ethanone (CID 155747845) is ethane;1-(2,3,6-trimethylphenyl)ethanone.
What is the SMILES notation for ethane;1-(2,3,6-trimethylphenyl)ethanone?
The canonical SMILES for ethane;1-(2,3,6-trimethylphenyl)ethanone is CC.CC.CC(=O)c1c(C)ccc(C)c1C.
What is the InChIKey of ethane;1-(2,3,6-trimethylphenyl)ethanone?
The InChIKey is KZGXMVSYYKWEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.2C2H6/c1-7-5-6-8(2)11(9(7)3)10(4)12;2*1-2/h5-6H,1-4H3;2*1-2H3.
What are the key properties of ethane;1-(2,3,6-trimethylphenyl)ethanone?
ethane;1-(2,3,6-trimethylphenyl)ethanone has a molecular weight of 222.37 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2,3,6-trimethylphenyl)ethanone is sourced from PubChem (CID 155747845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).