ethyl (5S)-5-hydroxyoxolane-2-carboxylate

C7H12O4 — CID 56609287

IUPACethyl (5S)-5-hydroxyoxolane-2-carboxylate
SMILESCCOC(=O)C1CC[C@@H](O)O1
InChIInChI=1S/C7H12O4/c1-2-10-7(9)5-3-4-6(8)11-5/h5-6,8H,2-4H2,1H3/t5?,6-/m0/s1
InChIKeyMTEONBBZTCJWHA-GDVGLLTNSA-N
MW160.17 g/mol
LogP0.05
Rot. Bonds2

About ethyl (5S)-5-hydroxyoxolane-2-carboxylate

ethyl (5S)-5-hydroxyoxolane-2-carboxylate (PubChem CID 56609287) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is ethyl (5S)-5-hydroxyoxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (5S)-5-hydroxyoxolane-2-carboxylate
PubChem CID56609287
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Nameethyl (5S)-5-hydroxyoxolane-2-carboxylate
SMILESCCOC(=O)C1CC[C@@H](O)O1
InChIInChI=1S/C7H12O4/c1-2-10-7(9)5-3-4-6(8)11-5/h5-6,8H,2-4H2,1H3/t5?,6-/m0/s1
InChIKeyMTEONBBZTCJWHA-GDVGLLTNSA-N
XLogP0.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (5S)-5-hydroxyoxolane-2-carboxylate?
The IUPAC name of ethyl (5S)-5-hydroxyoxolane-2-carboxylate (CID 56609287) is ethyl (5S)-5-hydroxyoxolane-2-carboxylate.
What is the SMILES notation for ethyl (5S)-5-hydroxyoxolane-2-carboxylate?
The canonical SMILES for ethyl (5S)-5-hydroxyoxolane-2-carboxylate is CCOC(=O)C1CC[C@@H](O)O1.
What is the InChIKey of ethyl (5S)-5-hydroxyoxolane-2-carboxylate?
The InChIKey is MTEONBBZTCJWHA-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H12O4/c1-2-10-7(9)5-3-4-6(8)11-5/h5-6,8H,2-4H2,1H3/t5?,6-/m0/s1.
What are the key properties of ethyl (5S)-5-hydroxyoxolane-2-carboxylate?
ethyl (5S)-5-hydroxyoxolane-2-carboxylate has a molecular weight of 160.17 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5S)-5-hydroxyoxolane-2-carboxylate is sourced from PubChem (CID 56609287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).