1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one

C10H18O2 — CID 123791585

IUPAC1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one
SMILESCCC1C(O)CCC1CC(C)=O
InChIInChI=1S/C10H18O2/c1-3-9-8(6-7(2)11)4-5-10(9)12/h8-10,12H,3-6H2,1-2H3
InChIKeyJELDKKMWJTYANO-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.76
Rot. Bonds3

About 1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one

1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one (PubChem CID 123791585) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one.

Molecular Properties

Compound Name1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one
PubChem CID123791585
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one
SMILESCCC1C(O)CCC1CC(C)=O
InChIInChI=1S/C10H18O2/c1-3-9-8(6-7(2)11)4-5-10(9)12/h8-10,12H,3-6H2,1-2H3
InChIKeyJELDKKMWJTYANO-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one?
The IUPAC name of 1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one (CID 123791585) is 1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one.
What is the SMILES notation for 1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one?
The canonical SMILES for 1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one is CCC1C(O)CCC1CC(C)=O.
What is the InChIKey of 1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one?
The InChIKey is JELDKKMWJTYANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-9-8(6-7(2)11)4-5-10(9)12/h8-10,12H,3-6H2,1-2H3.
What are the key properties of 1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one?
1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one has a molecular weight of 170.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3-hydroxycyclopentyl)propan-2-one is sourced from PubChem (CID 123791585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).