4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one

C13H22O2 — CID 79417052

IUPAC4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one
SMILESCCC1CCC(=O)C(C2CCCC2O)C1
InChIInChI=1S/C13H22O2/c1-2-9-6-7-13(15)11(8-9)10-4-3-5-12(10)14/h9-12,14H,2-8H2,1H3
InChIKeyGDMWJKLSGQHZDD-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.54
Rot. Bonds2

About 4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one

4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one (PubChem CID 79417052) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one
PubChem CID79417052
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one
SMILESCCC1CCC(=O)C(C2CCCC2O)C1
InChIInChI=1S/C13H22O2/c1-2-9-6-7-13(15)11(8-9)10-4-3-5-12(10)14/h9-12,14H,2-8H2,1H3
InChIKeyGDMWJKLSGQHZDD-UHFFFAOYSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one (CID 79417052) is 4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one is CCC1CCC(=O)C(C2CCCC2O)C1.
What is the InChIKey of 4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one?
The InChIKey is GDMWJKLSGQHZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-9-6-7-13(15)11(8-9)10-4-3-5-12(10)14/h9-12,14H,2-8H2,1H3.
What are the key properties of 4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one?
4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one has a molecular weight of 210.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-hydroxycyclopentyl)cyclohexan-1-one is sourced from PubChem (CID 79417052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).