2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one

C8H14O4 — CID 155392917

IUPAC2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one
SMILESCC1(OCCO)CCC(=O)C1O
InChIInChI=1S/C8H14O4/c1-8(12-5-4-9)3-2-6(10)7(8)11/h7,9,11H,2-5H2,1H3
InChIKeySKIYAAVFKUGAFR-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.52
Rot. Bonds3

About 2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one

2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one (PubChem CID 155392917) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one.

Molecular Properties

Compound Name2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one
PubChem CID155392917
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one
SMILESCC1(OCCO)CCC(=O)C1O
InChIInChI=1S/C8H14O4/c1-8(12-5-4-9)3-2-6(10)7(8)11/h7,9,11H,2-5H2,1H3
InChIKeySKIYAAVFKUGAFR-UHFFFAOYSA-N
XLogP-0.52
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroxy-3-methylcyclohexan-1-one
CID 85393180
1-(2-hydroxyethoxy)-7a-methyl-4-methylidene-1,2,3,3a,6,7-hexahydroinden-5-one
CID 123810542
6-(hydroxymethyl)-5-methylbicyclo[3.1.0]hexan-2-one
CID 573500
3-hydroxy-2,2-dimethyloxan-4-one
CID 14977609
2-[1-(aminomethyl)-2-methylcyclobutyl]oxyethanol
CID 130555490
(1S,4R,12R)-7-(2-hydroxyethoxy)-9,9,12-trimethyl-2-oxatricyclo[6.3.1.04,12]dodec-7-ene-3,6-dione
CID 11748412
(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione
CID 130906162
(8R,9R,10S,13S,14S,17R)-17-acetyl-17-(2-hydroxyethoxy)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 91530717
ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate
CID 67339971
5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-one
CID 82690864
1-(2-hydroxyethoxy)-5,5,9,11,11-pentamethyltricyclo[7.3.1.02,7]tridec-2(7)-en-3-one
CID 619398
(3aR,6aR)-5-(2-hydroxyethoxy)-5-methyl-6a-(methylamino)-3,3a,4,6-tetrahydro-1H-pentalen-2-one
CID 153041034

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one?
The IUPAC name of 2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one (CID 155392917) is 2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one.
What is the SMILES notation for 2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one?
The canonical SMILES for 2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one is CC1(OCCO)CCC(=O)C1O.
What is the InChIKey of 2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one?
The InChIKey is SKIYAAVFKUGAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-8(12-5-4-9)3-2-6(10)7(8)11/h7,9,11H,2-5H2,1H3.
What are the key properties of 2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one?
2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one has a molecular weight of 174.20 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-hydroxyethoxy)-3-methylcyclopentan-1-one is sourced from PubChem (CID 155392917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).