2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid

C8H10O4 — CID 10975906

IUPAC2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid
SMILESC=C[C@H]1CC(=O)O[C@H]1CC(=O)O
InChIInChI=1S/C8H10O4/c1-2-5-3-8(11)12-6(5)4-7(9)10/h2,5-6H,1,3-4H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyGFFLPSUZYMYKGI-WDSKDSINSA-N
MW170.16 g/mol
LogP0.58
Rot. Bonds3

About 2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid

2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid (PubChem CID 10975906) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid
PubChem CID10975906
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid
SMILESC=C[C@H]1CC(=O)O[C@H]1CC(=O)O
InChIInChI=1S/C8H10O4/c1-2-5-3-8(11)12-6(5)4-7(9)10/h2,5-6H,1,3-4H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyGFFLPSUZYMYKGI-WDSKDSINSA-N
XLogP0.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid?
The IUPAC name of 2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid (CID 10975906) is 2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid?
The canonical SMILES for 2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid is C=C[C@H]1CC(=O)O[C@H]1CC(=O)O.
What is the InChIKey of 2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid?
The InChIKey is GFFLPSUZYMYKGI-WDSKDSINSA-N. The full InChI is InChI=1S/C8H10O4/c1-2-5-3-8(11)12-6(5)4-7(9)10/h2,5-6H,1,3-4H2,(H,9,10)/t5-,6-/m0/s1.
What are the key properties of 2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid?
2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid has a molecular weight of 170.16 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-3-ethenyl-5-oxooxolan-2-yl]acetic acid is sourced from PubChem (CID 10975906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).