methyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate

C8H10O4 — CID 135068225

IUPACmethyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate
SMILESC=C[C@H]1C[C@H](C(=O)OC)C(=O)O1
InChIInChI=1S/C8H10O4/c1-3-5-4-6(7(9)11-2)8(10)12-5/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1
InChIKeyHDUTUOKGDKQIKK-NTSWFWBYSA-N
MW170.16 g/mol
LogP0.28
Rot. Bonds2

About methyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate

methyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate (PubChem CID 135068225) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is methyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate
PubChem CID135068225
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namemethyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate
SMILESC=C[C@H]1C[C@H](C(=O)OC)C(=O)O1
InChIInChI=1S/C8H10O4/c1-3-5-4-6(7(9)11-2)8(10)12-5/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1
InChIKeyHDUTUOKGDKQIKK-NTSWFWBYSA-N
XLogP0.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

AG-H-16646
CID 4618796
3-Furancarboxylic acid, 5-ethenyltetrahydro-2-oxo-, methyl ester
CID 11708129
ethyl (2R,3R,5R)-5-ethenyl-2-[(E)-2-ethoxyethenyl]oxolane-3-carboxylate
CID 12194350
Ethyl 5-methyl-2-oxo-3-(prop-2-en-1-yl)oxolane-3-carboxylate
CID 12378187
gamma-(1-Ethoxyvinyl)-alpha-ethoxycarbonylgamma-butyrolactone
CID 13837784
3-Acetyl-5-ethenyloxolan-2-one
CID 44718972
ethyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate
CID 51400825
methyl (3S,3aS,6aS)-2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-carboxylate
CID 102120158
methyl (3R,3aS,6aS)-2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-3-carboxylate
CID 102187502
(3S,5S)-5-ethenyl-3-methyloxolan-2-one
CID 129392322
diethyl (5R)-5-ethenyloxolane-3,3-dicarboxylate
CID 134938637
(3R,5S)-5-ethenyl-3-methyloxolan-2-one
CID 134989208

Frequently Asked Questions

What is the IUPAC name of methyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate?
The IUPAC name of methyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate (CID 135068225) is methyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate.
What is the SMILES notation for methyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate?
The canonical SMILES for methyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate is C=C[C@H]1C[C@H](C(=O)OC)C(=O)O1.
What is the InChIKey of methyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate?
The InChIKey is HDUTUOKGDKQIKK-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H10O4/c1-3-5-4-6(7(9)11-2)8(10)12-5/h3,5-6H,1,4H2,2H3/t5-,6+/m0/s1.
What are the key properties of methyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate?
methyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate has a molecular weight of 170.16 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5R)-5-ethenyl-2-oxooxolane-3-carboxylate is sourced from PubChem (CID 135068225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).