ethyl oxolane-2-carboxylate

C7H12O3 — CID 10103286

IUPACethyl oxolane-2-carboxylate
SMILESCCOC(=O)C1CCCO1
InChIInChI=1S/C7H12O3/c1-2-9-7(8)6-4-3-5-10-6/h6H,2-5H2,1H3
InChIKeyGQQLWKZRORYGHY-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds2

About ethyl oxolane-2-carboxylate

ethyl oxolane-2-carboxylate (PubChem CID 10103286) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is ethyl oxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl oxolane-2-carboxylate
PubChem CID10103286
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nameethyl oxolane-2-carboxylate
SMILESCCOC(=O)C1CCCO1
InChIInChI=1S/C7H12O3/c1-2-9-7(8)6-4-3-5-10-6/h6H,2-5H2,1H3
InChIKeyGQQLWKZRORYGHY-UHFFFAOYSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(+-)-Tetrahydro-2-furoic acid
CID 86079
Ethyl 5-oxooxolane-2-carboxylate
CID 305551
Tetrahydro-2-furoic acid, (+)-
CID 2734707
Tetrahydro-2-furoic acid, (-)-
CID 446666
Methyl tetrahydrofuran-2-carboxylate
CID 169922
Methyl 3-oxotetrahydrofuran-2-carboxylate
CID 11984038
(2S)-5-oxooxolane-2-carboxylate
CID 7157124
Methyl 5-oxotetrahydrofuran-2-carboxylate
CID 558879
(R)-(-)-gamma-Ethoxycarbonyl-gamma-butyrolactone
CID 853168
ethyl (2S)-5-oxooxolane-2-carboxylate
CID 853169
Tetrahydro-furan-2-carboxylic acid tetrahydrofurfuryl ester
CID 14505178
Methyl 4-oxooxolane-2-carboxylate
CID 45090037

Frequently Asked Questions

What is the IUPAC name of ethyl oxolane-2-carboxylate?
The IUPAC name of ethyl oxolane-2-carboxylate (CID 10103286) is ethyl oxolane-2-carboxylate.
What is the SMILES notation for ethyl oxolane-2-carboxylate?
The canonical SMILES for ethyl oxolane-2-carboxylate is CCOC(=O)C1CCCO1.
What is the InChIKey of ethyl oxolane-2-carboxylate?
The InChIKey is GQQLWKZRORYGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-9-7(8)6-4-3-5-10-6/h6H,2-5H2,1H3.
What are the key properties of ethyl oxolane-2-carboxylate?
ethyl oxolane-2-carboxylate has a molecular weight of 144.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl oxolane-2-carboxylate is sourced from PubChem (CID 10103286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).