1-butan-2-yl-2-ethylcyclopentane

C11H22 — CID 91358263

IUPAC1-butan-2-yl-2-ethylcyclopentane
SMILESCCC(C)C1CCCC1CC
InChIInChI=1S/C11H22/c1-4-9(3)11-8-6-7-10(11)5-2/h9-11H,4-8H2,1-3H3
InChIKeyAFQXYLLIFGGHIN-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds3

About 1-butan-2-yl-2-ethylcyclopentane

1-butan-2-yl-2-ethylcyclopentane (PubChem CID 91358263) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1-butan-2-yl-2-ethylcyclopentane.

Molecular Properties

Compound Name1-butan-2-yl-2-ethylcyclopentane
PubChem CID91358263
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1-butan-2-yl-2-ethylcyclopentane
SMILESCCC(C)C1CCCC1CC
InChIInChI=1S/C11H22/c1-4-9(3)11-8-6-7-10(11)5-2/h9-11H,4-8H2,1-3H3
InChIKeyAFQXYLLIFGGHIN-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(2S)-butan-2-yl]-2-ethylcyclopentane
CID 146934548
1-butan-2-yl-2-ethylcyclobutane
CID 91142944
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
[(1S,2S)-2-butan-2-ylcyclohexyl]methanamine
CID 167231134
trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
CID 22853538
1-ethyl-2-pentan-2-ylcycloheptane
CID 123744676
1-butan-2-yl-2-pentan-3-ylcyclopentane
CID 123672278
N-[[(1R)-2-butan-2-ylcyclopentyl]methyl]-N-ethylpropan-2-amine;ethane
CID 156836812
1-butan-2-yl-2-(4-methylpentan-2-yl)cyclopentane
CID 123699585
1-butan-2-yl-2-(2-methoxyethyl)cyclohexane
CID 175488685
3-(2-ethylcyclohexyl)-N-methylbutan-1-amine
CID 81012957
1-butan-2-yl-2-[2-(2-methylcyclopropylidene)ethyl]cyclopentane
CID 91352436

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-ethylcyclopentane?
The IUPAC name of 1-butan-2-yl-2-ethylcyclopentane (CID 91358263) is 1-butan-2-yl-2-ethylcyclopentane.
What is the SMILES notation for 1-butan-2-yl-2-ethylcyclopentane?
The canonical SMILES for 1-butan-2-yl-2-ethylcyclopentane is CCC(C)C1CCCC1CC.
What is the InChIKey of 1-butan-2-yl-2-ethylcyclopentane?
The InChIKey is AFQXYLLIFGGHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-4-9(3)11-8-6-7-10(11)5-2/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-butan-2-yl-2-ethylcyclopentane?
1-butan-2-yl-2-ethylcyclopentane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-ethylcyclopentane is sourced from PubChem (CID 91358263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).