ethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate

C10H10O5 — CID 54703114

IUPACethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate
SMILESCCOC(=O)C1=C2OC(=O)C(O)=C2CC1
InChIInChI=1S/C10H10O5/c1-2-14-9(12)6-4-3-5-7(11)10(13)15-8(5)6/h11H,2-4H2,1H3
InChIKeyCETMMCRTZHFAJN-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.97
Rot. Bonds2

About ethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate

ethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate (PubChem CID 54703114) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate
PubChem CID54703114
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Nameethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate
SMILESCCOC(=O)C1=C2OC(=O)C(O)=C2CC1
InChIInChI=1S/C10H10O5/c1-2-14-9(12)6-4-3-5-7(11)10(13)15-8(5)6/h11H,2-4H2,1H3
InChIKeyCETMMCRTZHFAJN-UHFFFAOYSA-N
XLogP0.97
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2(5H)Furanone, 3-butyl-4-hydroxy-
CID 54676120
methyl (11Z)-3-hydroxy-2-oxo-5,6,7,8,9,10-hexahydro-4H-cyclodeca[b]furan-11-carboxylate
CID 101085404
methyl (13Z)-3-hydroxy-2-oxo-5,6,7,8,9,10,11,12-octahydro-4H-cyclododeca[b]furan-13-carboxylate
CID 101085405
ethyl (9Z)-3-hydroxy-2-oxo-5,6,7,8-tetrahydro-4H-cycloocta[b]furan-9-carboxylate
CID 54703118
Jfhgnvvrfmtlgo-uhfffaoysa-
CID 10856841
ethyl 3-hydroxy-2-oxo-5,6-dihydro-4H-1-benzofuran-7-carboxylate
CID 54691499
Ethyl 3-hydroxy-2-oxo-4,5,6,7-tetrahydrocyclohepta[b]furan-8-carboxylate
CID 54697245
ethyl (2Z)-2-(3-butyl-4-hydroxy-5-oxofuran-2-ylidene)acetate
CID 101066217
methyl 5-(3-hydroxy-5-oxo-2H-furan-4-yl)pentanoate
CID 54710027
Ethyl 4-ethyl-2,3-dihydroxycyclopenta-1,3-diene-1-carboxylate
CID 89308257
4-hydroxy-2,3-dimethyl-2H-furan-5-one;2-hydroxy-3-methylcyclopent-2-en-1-one
CID 139509210
2-(3-ethyl-4-hydroxy-5-oxo-2H-furan-2-yl)acetic acid
CID 23249736

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate?
The IUPAC name of ethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate (CID 54703114) is ethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate is CCOC(=O)C1=C2OC(=O)C(O)=C2CC1.
What is the InChIKey of ethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate?
The InChIKey is CETMMCRTZHFAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c1-2-14-9(12)6-4-3-5-7(11)10(13)15-8(5)6/h11H,2-4H2,1H3.
What are the key properties of ethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate?
ethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate has a molecular weight of 210.18 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-oxo-4,5-dihydrocyclopenta[b]furan-6-carboxylate is sourced from PubChem (CID 54703114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).