5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one

C15H22O — CID 64716140

IUPAC5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one
SMILESCC(=O)CC(C)(C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H22O/c1-11-6-12(2)8-14(7-11)10-15(4,5)9-13(3)16/h6-8H,9-10H2,1-5H3
InChIKeyMZLFOYWQEFCRBH-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.85
Rot. Bonds4

About 5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one

5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one (PubChem CID 64716140) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one
PubChem CID64716140
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one
SMILESCC(=O)CC(C)(C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C15H22O/c1-11-6-12(2)8-14(7-11)10-15(4,5)9-13(3)16/h6-8H,9-10H2,1-5H3
InChIKeyMZLFOYWQEFCRBH-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,5-dimethylphenyl)-4-methylpentan-2-one
CID 64715296
ethyl 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-methylpropanoate
CID 106487035
1-(3,5-dimethylphenyl)-3,3-dimethylbutan-2-one
CID 22558548
diethyl 2-bromo-2-[(3,5-dimethylphenyl)methyl]propanedioate
CID 175600012
2-[(3,5-dimethylphenyl)methyl]-2,3-dimethylbutanoic acid
CID 83148791
methyl 2-(aminomethyl)-3-(3,5-dimethylphenyl)-2-methylpropanoate
CID 106487899
4-(3-fluoro-5-methylphenyl)-4-methylpentan-2-one
CID 79704554
1-[(3,5-dimethylphenyl)methylsulfanyl]propan-2-one
CID 79670956
ethyl 2-[(3,5-dimethylphenyl)methyl]-2-methylbut-3-enoate
CID 102639297
1-(3,5-dimethylphenyl)-3-methylbut-3-en-2-one
CID 79189598
3-(3,5-dimethylphenyl)-2,2-dimethylpropanenitrile
CID 65379308
2-(3,5-dimethylphenyl)acetic acid;ethane
CID 143170600

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one?
The IUPAC name of 5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one (CID 64716140) is 5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one?
The canonical SMILES for 5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one is CC(=O)CC(C)(C)Cc1cc(C)cc(C)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one?
The InChIKey is MZLFOYWQEFCRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11-6-12(2)8-14(7-11)10-15(4,5)9-13(3)16/h6-8H,9-10H2,1-5H3.
What are the key properties of 5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one?
5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one has a molecular weight of 218.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-4,4-dimethylpentan-2-one is sourced from PubChem (CID 64716140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).