1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone

C17H32O — CID 57150588

IUPAC1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone
SMILESCCCCC1CCC(C(C)=O)(C(C)(C)C)C1CC
InChIInChI=1S/C17H32O/c1-7-9-10-14-11-12-17(13(3)18,15(14)8-2)16(4,5)6/h14-15H,7-12H2,1-6H3
InChIKeyJGYNOHQWUVHPJD-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.23
Rot. Bonds5

About 1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone

1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone (PubChem CID 57150588) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone.

Molecular Properties

Compound Name1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone
PubChem CID57150588
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone
SMILESCCCCC1CCC(C(C)=O)(C(C)(C)C)C1CC
InChIInChI=1S/C17H32O/c1-7-9-10-14-11-12-17(13(3)18,15(14)8-2)16(4,5)6/h14-15H,7-12H2,1-6H3
InChIKeyJGYNOHQWUVHPJD-UHFFFAOYSA-N
XLogP5.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone?
The IUPAC name of 1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone (CID 57150588) is 1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone.
What is the SMILES notation for 1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone?
The canonical SMILES for 1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone is CCCCC1CCC(C(C)=O)(C(C)(C)C)C1CC.
What is the InChIKey of 1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone?
The InChIKey is JGYNOHQWUVHPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-7-9-10-14-11-12-17(13(3)18,15(14)8-2)16(4,5)6/h14-15H,7-12H2,1-6H3.
What are the key properties of 1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone?
1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone has a molecular weight of 252.44 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butyl-1-tert-butyl-2-ethylcyclopentyl)ethanone is sourced from PubChem (CID 57150588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).