1-cyclopentyl-2-ethyl-3-methylbutan-1-one

C12H22O — CID 134474647

IUPAC1-cyclopentyl-2-ethyl-3-methylbutan-1-one
SMILESCCC(C(=O)C1CCCC1)C(C)C
InChIInChI=1S/C12H22O/c1-4-11(9(2)3)12(13)10-7-5-6-8-10/h9-11H,4-8H2,1-3H3
InChIKeyBSVXHWZLZGFTJY-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.43
Rot. Bonds4

About 1-cyclopentyl-2-ethyl-3-methylbutan-1-one

1-cyclopentyl-2-ethyl-3-methylbutan-1-one (PubChem CID 134474647) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-cyclopentyl-2-ethyl-3-methylbutan-1-one.

Molecular Properties

Compound Name1-cyclopentyl-2-ethyl-3-methylbutan-1-one
PubChem CID134474647
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-cyclopentyl-2-ethyl-3-methylbutan-1-one
SMILESCCC(C(=O)C1CCCC1)C(C)C
InChIInChI=1S/C12H22O/c1-4-11(9(2)3)12(13)10-7-5-6-8-10/h9-11H,4-8H2,1-3H3
InChIKeyBSVXHWZLZGFTJY-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one
CID 116923369
1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923569
1-cyclobutyl-2-methylbutan-1-one
CID 79446135
(2S)-1-cyclobutyl-2-methylbutan-1-one
CID 142214969
2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one
CID 116574057
2-(cyclohexanecarbonyl)butanoic acid
CID 54295609
2-amino-1-cyclohexyl-3-methylpentan-1-one
CID 59078548
3-amino-1-cyclopentyl-2-methylbutan-1-one
CID 116612102
(2S)-2-amino-1-cyclopentyl-3-methylbutan-1-one
CID 174421994
1,3-di(cyclobutyl)-2-methylpropane-1,3-dione
CID 165484396
1-cyclohexyl-2,3-dimethylbutan-1-one;ethane;ethene
CID 143362777
2,4-dimethylhexan-3-yl cyclopentanecarboxylate
CID 70668581

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-ethyl-3-methylbutan-1-one?
The IUPAC name of 1-cyclopentyl-2-ethyl-3-methylbutan-1-one (CID 134474647) is 1-cyclopentyl-2-ethyl-3-methylbutan-1-one.
What is the SMILES notation for 1-cyclopentyl-2-ethyl-3-methylbutan-1-one?
The canonical SMILES for 1-cyclopentyl-2-ethyl-3-methylbutan-1-one is CCC(C(=O)C1CCCC1)C(C)C.
What is the InChIKey of 1-cyclopentyl-2-ethyl-3-methylbutan-1-one?
The InChIKey is BSVXHWZLZGFTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-4-11(9(2)3)12(13)10-7-5-6-8-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-cyclopentyl-2-ethyl-3-methylbutan-1-one?
1-cyclopentyl-2-ethyl-3-methylbutan-1-one has a molecular weight of 182.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-ethyl-3-methylbutan-1-one is sourced from PubChem (CID 134474647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).