2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one

C15H20O — CID 81416308

IUPAC2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1c1cccc(C)c1
InChIInChI=1S/C15H20O/c1-4-15(5-2)13(10-14(15)16)12-8-6-7-11(3)9-12/h6-9,13H,4-5,10H2,1-3H3
InChIKeyHPGTUOOOWUNKRG-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.86
Rot. Bonds3

About 2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one

2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one (PubChem CID 81416308) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one.

Molecular Properties

Compound Name2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one
PubChem CID81416308
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one
SMILESCCC1(CC)C(=O)CC1c1cccc(C)c1
InChIInChI=1S/C15H20O/c1-4-15(5-2)13(10-14(15)16)12-8-6-7-11(3)9-12/h6-9,13H,4-5,10H2,1-3H3
InChIKeyHPGTUOOOWUNKRG-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2-(3-methylphenyl)cyclopropan-1-amine
CID 84655385
4,4-diethyl-3-(3-methylphenyl)piperidine-2,6-dione
CID 79437017
(4S)-3,3-diethyl-4-(3-methylphenyl)pyrrolidine
CID 125450470
5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 7268957
4-ethyl-4-methyl-3-(3-methylphenyl)piperidine
CID 79442417
5-ethyl-3,5-dimethyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83260407
3-(3-methylphenyl)-4-pentan-3-ylpiperidine-2,6-dione
CID 79436130
3-(3-ethoxyphenyl)-2-ethyl-2-methylcyclobutan-1-one
CID 81415576
2,2-diethyl-3-(2-methoxy-4-methylphenoxy)cyclobutan-1-one
CID 66366795
(2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one
CID 3050446
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-one
CID 81415089
4-cyclopropyl-4-ethyl-3-(3-methylphenyl)piperidine-2,6-dione
CID 79424206

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one?
The IUPAC name of 2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one (CID 81416308) is 2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one.
What is the SMILES notation for 2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one?
The canonical SMILES for 2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one is CCC1(CC)C(=O)CC1c1cccc(C)c1.
What is the InChIKey of 2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one?
The InChIKey is HPGTUOOOWUNKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-4-15(5-2)13(10-14(15)16)12-8-6-7-11(3)9-12/h6-9,13H,4-5,10H2,1-3H3.
What are the key properties of 2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one?
2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(3-methylphenyl)cyclobutan-1-one is sourced from PubChem (CID 81416308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).