2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one

C9H16O2 — CID 89206220

IUPAC2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one
SMILESCCC1C(=O)CCC1CCO
InChIInChI=1S/C9H16O2/c1-2-8-7(5-6-10)3-4-9(8)11/h7-8,10H,2-6H2,1H3
InChIKeyACVDGCRTHDAZTL-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.37
Rot. Bonds3

About 2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one

2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one (PubChem CID 89206220) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one
PubChem CID89206220
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one
SMILESCCC1C(=O)CCC1CCO
InChIInChI=1S/C9H16O2/c1-2-8-7(5-6-10)3-4-9(8)11/h7-8,10H,2-6H2,1H3
InChIKeyACVDGCRTHDAZTL-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one?
The IUPAC name of 2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one (CID 89206220) is 2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one.
What is the SMILES notation for 2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one?
The canonical SMILES for 2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one is CCC1C(=O)CCC1CCO.
What is the InChIKey of 2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one?
The InChIKey is ACVDGCRTHDAZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-8-7(5-6-10)3-4-9(8)11/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one?
2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-hydroxyethyl)cyclopentan-1-one is sourced from PubChem (CID 89206220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).