1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone

C11H20O2 — CID 91273975

IUPAC1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone
SMILESCCC1CCC(O)(C(C)=O)C1(C)C
InChIInChI=1S/C11H20O2/c1-5-9-6-7-11(13,8(2)12)10(9,3)4/h9,13H,5-7H2,1-4H3
InChIKeyFGDZVSUKEBQPMI-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.15
Rot. Bonds2

About 1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone

1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone (PubChem CID 91273975) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone
PubChem CID91273975
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone
SMILESCCC1CCC(O)(C(C)=O)C1(C)C
InChIInChI=1S/C11H20O2/c1-5-9-6-7-11(13,8(2)12)10(9,3)4/h9,13H,5-7H2,1-4H3
InChIKeyFGDZVSUKEBQPMI-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone?
The IUPAC name of 1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone (CID 91273975) is 1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone.
What is the SMILES notation for 1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone?
The canonical SMILES for 1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone is CCC1CCC(O)(C(C)=O)C1(C)C.
What is the InChIKey of 1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone?
The InChIKey is FGDZVSUKEBQPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-9-6-7-11(13,8(2)12)10(9,3)4/h9,13H,5-7H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone?
1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone has a molecular weight of 184.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-hydroxy-2,2-dimethylcyclopentyl)ethanone is sourced from PubChem (CID 91273975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).