5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one

C18H28O — CID 83927567

IUPAC5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one
SMILESCCc1ccc(C(C)(C)C)cc1CC(C)CC(C)=O
InChIInChI=1S/C18H28O/c1-7-15-8-9-17(18(4,5)6)12-16(15)11-13(2)10-14(3)19/h8-9,12-13H,7,10-11H2,1-6H3
InChIKeyGOQANCIXIIAIDX-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.70
Rot. Bonds5

About 5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one

5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one (PubChem CID 83927567) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one
PubChem CID83927567
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one
SMILESCCc1ccc(C(C)(C)C)cc1CC(C)CC(C)=O
InChIInChI=1S/C18H28O/c1-7-15-8-9-17(18(4,5)6)12-16(15)11-13(2)10-14(3)19/h8-9,12-13H,7,10-11H2,1-6H3
InChIKeyGOQANCIXIIAIDX-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,5-diethylphenyl)-4-methylpentan-2-one
CID 83920938
5-(2-bromo-4-methylphenyl)-4-methylpentan-2-one
CID 83924454
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693
1-(5-tert-butyl-2-propoxyphenyl)-2-methylheptan-4-one
CID 83935602
2-(3,4-diethylphenyl)-2-methylpropan-1-ol
CID 117295283
5-(3,5-dimethyl-2-propoxyphenyl)-4-methylpentan-2-one
CID 83942194
5-(2,6-dichloro-3-pyridinyl)-4-methylpentan-2-one
CID 155376785
4-(5-tert-butyl-2-methylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83935353
4-tert-butyl-2-ethylbenzenecarbothioic S-acid
CID 23337774
4-(4-tert-butyl-2-methylphenyl)-4-(methylamino)butan-2-one
CID 116956060
5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one
CID 64720945
5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one
CID 83921892

Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one?
The IUPAC name of 5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one (CID 83927567) is 5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one?
The canonical SMILES for 5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one is CCc1ccc(C(C)(C)C)cc1CC(C)CC(C)=O.
What is the InChIKey of 5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one?
The InChIKey is GOQANCIXIIAIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-7-15-8-9-17(18(4,5)6)12-16(15)11-13(2)10-14(3)19/h8-9,12-13H,7,10-11H2,1-6H3.
What are the key properties of 5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one?
5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one has a molecular weight of 260.42 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 83927567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).