ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate

C10H14O4 — CID 13174425

IUPACethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate
SMILESCCOC(=O)C(O)C1CC(C)=CC1=O
InChIInChI=1S/C10H14O4/c1-3-14-10(13)9(12)7-4-6(2)5-8(7)11/h5,7,9,12H,3-4H2,1-2H3
InChIKeyYDMPCWFQOACENX-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.45
Rot. Bonds3

About ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate

ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate (PubChem CID 13174425) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate
PubChem CID13174425
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate
SMILESCCOC(=O)C(O)C1CC(C)=CC1=O
InChIInChI=1S/C10H14O4/c1-3-14-10(13)9(12)7-4-6(2)5-8(7)11/h5,7,9,12H,3-4H2,1-2H3
InChIKeyYDMPCWFQOACENX-UHFFFAOYSA-N
XLogP0.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate (CID 13174425) is ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate is CCOC(=O)C(O)C1CC(C)=CC1=O.
What is the InChIKey of ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate?
The InChIKey is YDMPCWFQOACENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-14-10(13)9(12)7-4-6(2)5-8(7)11/h5,7,9,12H,3-4H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate?
ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate has a molecular weight of 198.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(4-methyl-2-oxocyclopent-3-en-1-yl)acetate is sourced from PubChem (CID 13174425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).