methyl (3R)-2-oxooxolane-3-carboxylate

C6H8O4 — CID 86310576

IUPACmethyl (3R)-2-oxooxolane-3-carboxylate
SMILESCOC(=O)[C@H]1CCOC1=O
InChIInChI=1S/C6H8O4/c1-9-5(7)4-2-3-10-6(4)8/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyKBFOCDFPJBIMBD-SCSAIBSYSA-N
MW144.13 g/mol
LogP-0.28
Rot. Bonds1

About methyl (3R)-2-oxooxolane-3-carboxylate

methyl (3R)-2-oxooxolane-3-carboxylate (PubChem CID 86310576) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is methyl (3R)-2-oxooxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-2-oxooxolane-3-carboxylate
PubChem CID86310576
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Namemethyl (3R)-2-oxooxolane-3-carboxylate
SMILESCOC(=O)[C@H]1CCOC1=O
InChIInChI=1S/C6H8O4/c1-9-5(7)4-2-3-10-6(4)8/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyKBFOCDFPJBIMBD-SCSAIBSYSA-N
XLogP-0.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6,7-dimethyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 102164054
methyl 2-oxo-1,4-oxathiane-3-carboxylate
CID 67507533
(4-methoxyphenyl)methyl 2-oxooxolane-3-carboxylate
CID 141135197
methyl 1-(2-oxooxolan-3-yl)pyrrolidine-3-carboxylate
CID 112731457
methyl 5-amino-3,4-dihydro-2H-chromene-4-carboxylate
CID 105460150
methyl 1-(2-oxooxolan-3-yl)pyrrolidine-2-carboxylate
CID 62028796
2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid
CID 163626928
methyl (2R)-2-[(3R)-2-oxooxolan-3-yl]propanoate
CID 177494846
methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
CID 14986536
methyl (4aS,8R,8aR)-1-oxo-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxylate
CID 102264119
methyl 5,5-dicyclopropyl-2-oxooxolane-3-carboxylate
CID 12956254
cis-methyl (1S,3R)-3-methyl-2-oxocyclooctane-1-carboxylate
CID 131850631

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-2-oxooxolane-3-carboxylate?
The IUPAC name of methyl (3R)-2-oxooxolane-3-carboxylate (CID 86310576) is methyl (3R)-2-oxooxolane-3-carboxylate.
What is the SMILES notation for methyl (3R)-2-oxooxolane-3-carboxylate?
The canonical SMILES for methyl (3R)-2-oxooxolane-3-carboxylate is COC(=O)[C@H]1CCOC1=O.
What is the InChIKey of methyl (3R)-2-oxooxolane-3-carboxylate?
The InChIKey is KBFOCDFPJBIMBD-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8O4/c1-9-5(7)4-2-3-10-6(4)8/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of methyl (3R)-2-oxooxolane-3-carboxylate?
methyl (3R)-2-oxooxolane-3-carboxylate has a molecular weight of 144.13 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-2-oxooxolane-3-carboxylate is sourced from PubChem (CID 86310576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).