ethane;1-(2,3,5-trimethylphenyl)ethanone

C19H38O — CID 145375991

IUPACethane;1-(2,3,5-trimethylphenyl)ethanone
SMILESCC.CC.CC.CC.CC(=O)c1cc(C)cc(C)c1C
InChIInChI=1S/C11H14O.4C2H6/c1-7-5-8(2)9(3)11(6-7)10(4)12;4*1-2/h5-6H,1-4H3;4*1-2H3
InChIKeyCYRUJPUEKMRPPX-UHFFFAOYSA-N
MW282.51 g/mol
LogP6.92
Rot. Bonds1

About ethane;1-(2,3,5-trimethylphenyl)ethanone

ethane;1-(2,3,5-trimethylphenyl)ethanone (PubChem CID 145375991) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is ethane;1-(2,3,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Nameethane;1-(2,3,5-trimethylphenyl)ethanone
PubChem CID145375991
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Nameethane;1-(2,3,5-trimethylphenyl)ethanone
SMILESCC.CC.CC.CC.CC(=O)c1cc(C)cc(C)c1C
InChIInChI=1S/C11H14O.4C2H6/c1-7-5-8(2)9(3)11(6-7)10(4)12;4*1-2/h5-6H,1-4H3;4*1-2H3
InChIKeyCYRUJPUEKMRPPX-UHFFFAOYSA-N
XLogP6.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

indium(3+);tris(2,3,5-trimethylbenzoate)
CID 22604763
2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene
CID 145154814
1-[3,5-dimethyl-2-(methylamino)phenyl]ethanone
CID 70302407
2-amino-1-(2,3,5-trimethylphenyl)ethanone
CID 117277600
1-(2-amino-3,5-dimethylphenyl)ethanone;2,4-dimethyl-6-prop-1-en-2-ylaniline;ethane
CID 144506946
3-acetyl-4,5-dimethylbenzonitrile
CID 117277025
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336
1-(2,3-dihydroxy-4,5-dimethylphenyl)ethanone
CID 117278320
1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene
CID 149146879
2,3,5-trimethyl-N-propylbenzamide
CID 66873398
1-(3-acetyl-2-hydroxy-5-methylphenyl)ethanone;dichloromethane
CID 159502600
1-(2,4,5-trimethyl-3-nitrophenyl)ethanone
CID 14907163

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2,3,5-trimethylphenyl)ethanone?
The IUPAC name of ethane;1-(2,3,5-trimethylphenyl)ethanone (CID 145375991) is ethane;1-(2,3,5-trimethylphenyl)ethanone.
What is the SMILES notation for ethane;1-(2,3,5-trimethylphenyl)ethanone?
The canonical SMILES for ethane;1-(2,3,5-trimethylphenyl)ethanone is CC.CC.CC.CC.CC(=O)c1cc(C)cc(C)c1C.
What is the InChIKey of ethane;1-(2,3,5-trimethylphenyl)ethanone?
The InChIKey is CYRUJPUEKMRPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.4C2H6/c1-7-5-8(2)9(3)11(6-7)10(4)12;4*1-2/h5-6H,1-4H3;4*1-2H3.
What are the key properties of ethane;1-(2,3,5-trimethylphenyl)ethanone?
ethane;1-(2,3,5-trimethylphenyl)ethanone has a molecular weight of 282.51 g/mol, XLogP of 6.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2,3,5-trimethylphenyl)ethanone is sourced from PubChem (CID 145375991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).