methyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate

C9H12O5 — CID 15180654

IUPACmethyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate
SMILESCCOC1=C(C(=O)OC)C(O)CC1=O
InChIInChI=1S/C9H12O5/c1-3-14-8-6(11)4-5(10)7(8)9(12)13-2/h5,10H,3-4H2,1-2H3
InChIKeySQEVQKUZJPWDNR-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.22
Rot. Bonds3

About methyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate

methyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate (PubChem CID 15180654) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is methyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate
PubChem CID15180654
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Namemethyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate
SMILESCCOC1=C(C(=O)OC)C(O)CC1=O
InChIInChI=1S/C9H12O5/c1-3-14-8-6(11)4-5(10)7(8)9(12)13-2/h5,10H,3-4H2,1-2H3
InChIKeySQEVQKUZJPWDNR-UHFFFAOYSA-N
XLogP-0.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate?
The IUPAC name of methyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate (CID 15180654) is methyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate is CCOC1=C(C(=O)OC)C(O)CC1=O.
What is the InChIKey of methyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate?
The InChIKey is SQEVQKUZJPWDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-3-14-8-6(11)4-5(10)7(8)9(12)13-2/h5,10H,3-4H2,1-2H3.
What are the key properties of methyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate?
methyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate has a molecular weight of 200.19 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-5-hydroxy-3-oxocyclopentene-1-carboxylate is sourced from PubChem (CID 15180654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).