methyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate

C10H16O5 — CID 70795381

IUPACmethyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate
SMILESCOC(=O)C[C@H]1O[C@@H](C)C[C@@H]1C(=O)OC
InChIInChI=1S/C10H16O5/c1-6-4-7(10(12)14-3)8(15-6)5-9(11)13-2/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
InChIKeyFMOLCHKAHOMTJN-BIIVOSGPSA-N
MW216.23 g/mol
LogP0.52
Rot. Bonds3

About methyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate

methyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate (PubChem CID 70795381) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is methyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate
PubChem CID70795381
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namemethyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate
SMILESCOC(=O)C[C@H]1O[C@@H](C)C[C@@H]1C(=O)OC
InChIInChI=1S/C10H16O5/c1-6-4-7(10(12)14-3)8(15-6)5-9(11)13-2/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m0/s1
InChIKeyFMOLCHKAHOMTJN-BIIVOSGPSA-N
XLogP0.52
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate?
The IUPAC name of methyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate (CID 70795381) is methyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate.
What is the SMILES notation for methyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate?
The canonical SMILES for methyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate is COC(=O)C[C@H]1O[C@@H](C)C[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate?
The InChIKey is FMOLCHKAHOMTJN-BIIVOSGPSA-N. The full InChI is InChI=1S/C10H16O5/c1-6-4-7(10(12)14-3)8(15-6)5-9(11)13-2/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m0/s1.
What are the key properties of methyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate?
methyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,5S)-2-(2-methoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate is sourced from PubChem (CID 70795381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).