1-(1-ethyl-2-methylcyclobutyl)ethanone

C9H16O — CID 59190029

IUPAC1-(1-ethyl-2-methylcyclobutyl)ethanone
SMILESCCC1(C(C)=O)CCC1C
InChIInChI=1S/C9H16O/c1-4-9(8(3)10)6-5-7(9)2/h7H,4-6H2,1-3H3
InChIKeyYDJVZKAVXJLDQG-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.40
Rot. Bonds2

About 1-(1-ethyl-2-methylcyclobutyl)ethanone

1-(1-ethyl-2-methylcyclobutyl)ethanone (PubChem CID 59190029) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-(1-ethyl-2-methylcyclobutyl)ethanone.

Molecular Properties

Compound Name1-(1-ethyl-2-methylcyclobutyl)ethanone
PubChem CID59190029
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name1-(1-ethyl-2-methylcyclobutyl)ethanone
SMILESCCC1(C(C)=O)CCC1C
InChIInChI=1S/C9H16O/c1-4-9(8(3)10)6-5-7(9)2/h7H,4-6H2,1-3H3
InChIKeyYDJVZKAVXJLDQG-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2S)-2-methyl-1-(methylamino)cyclobutyl]ethanone
CID 146800799
N,1-diethyl-2-methylcycloheptane-1-carboxamide
CID 20549202
(1R,2S,3R)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide
CID 25098819
1,2-diethylcyclohexane-1,4-dicarboxylic acid
CID 67649283
(1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide
CID 102475439
1-[(1S,3R)-1-hydroxy-2,2,3-trimethylcyclopentyl]ethanone
CID 134856008
(1-ethyl-2-methylcycloheptyl)-morpholin-4-ylmethanone
CID 20549212
N-[(1R,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide
CID 102210916
N-[(1S,2S)-1-(hydroxymethyl)-2-methylcyclobutyl]acetamide
CID 102210912
(4bS,8aR)-7-acetyl-7,8-diethyl-1,3,4,4b,5,6,8,8a,9,10-decahydrophenanthren-2-one
CID 22791518
1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone
CID 171582069
dimethyl 2-methylcyclobutane-1,1-dicarboxylate
CID 574749

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-methylcyclobutyl)ethanone?
The IUPAC name of 1-(1-ethyl-2-methylcyclobutyl)ethanone (CID 59190029) is 1-(1-ethyl-2-methylcyclobutyl)ethanone.
What is the SMILES notation for 1-(1-ethyl-2-methylcyclobutyl)ethanone?
The canonical SMILES for 1-(1-ethyl-2-methylcyclobutyl)ethanone is CCC1(C(C)=O)CCC1C.
What is the InChIKey of 1-(1-ethyl-2-methylcyclobutyl)ethanone?
The InChIKey is YDJVZKAVXJLDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-9(8(3)10)6-5-7(9)2/h7H,4-6H2,1-3H3.
What are the key properties of 1-(1-ethyl-2-methylcyclobutyl)ethanone?
1-(1-ethyl-2-methylcyclobutyl)ethanone has a molecular weight of 140.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-methylcyclobutyl)ethanone is sourced from PubChem (CID 59190029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).