2-ethyl-2-propan-2-ylcyclobutan-1-one

C9H16O — CID 134922592

IUPAC2-ethyl-2-propan-2-ylcyclobutan-1-one
SMILESCCC1(C(C)C)CCC1=O
InChIInChI=1S/C9H16O/c1-4-9(7(2)3)6-5-8(9)10/h7H,4-6H2,1-3H3
InChIKeyDKMMEXISTOYOJC-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.40
Rot. Bonds2

About 2-ethyl-2-propan-2-ylcyclobutan-1-one

2-ethyl-2-propan-2-ylcyclobutan-1-one (PubChem CID 134922592) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-ethyl-2-propan-2-ylcyclobutan-1-one.

Molecular Properties

Compound Name2-ethyl-2-propan-2-ylcyclobutan-1-one
PubChem CID134922592
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-ethyl-2-propan-2-ylcyclobutan-1-one
SMILESCCC1(C(C)C)CCC1=O
InChIInChI=1S/C9H16O/c1-4-9(7(2)3)6-5-8(9)10/h7H,4-6H2,1-3H3
InChIKeyDKMMEXISTOYOJC-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

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2,2-diethylcyclopentane-1,3-dione
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2-ethyl-2-methylcyclopentane-1,3-dione
CID 574386
(3aR,6aR)-3a,6a-dimethyl-2,3,5,6-tetrahydropentalene-1,4-dione
CID 2802599
1-ethyl-1-propan-2-ylcyclopropane
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(3S)-3-(hydroxymethyl)-3-propan-2-ylpyrrolidin-2-one
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3,6-dimethyl-6-propan-2-yloxan-2-one
CID 140976692
(1S,5S)-1-ethyl-5-methylbicyclo[3.2.2]non-6-en-2-one
CID 131196011
6-ethyl-6-propan-2-yloxane-2,4-dione
CID 57185306
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(3R)-3-ethyl-3-(2-methylpropyl)cyclohexan-1-one
CID 102408450

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-propan-2-ylcyclobutan-1-one?
The IUPAC name of 2-ethyl-2-propan-2-ylcyclobutan-1-one (CID 134922592) is 2-ethyl-2-propan-2-ylcyclobutan-1-one.
What is the SMILES notation for 2-ethyl-2-propan-2-ylcyclobutan-1-one?
The canonical SMILES for 2-ethyl-2-propan-2-ylcyclobutan-1-one is CCC1(C(C)C)CCC1=O.
What is the InChIKey of 2-ethyl-2-propan-2-ylcyclobutan-1-one?
The InChIKey is DKMMEXISTOYOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-9(7(2)3)6-5-8(9)10/h7H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-2-propan-2-ylcyclobutan-1-one?
2-ethyl-2-propan-2-ylcyclobutan-1-one 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 2-ethyl-2-propan-2-ylcyclobutan-1-one is sourced from PubChem (CID 134922592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).