methyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate

C9H16O6 — CID 10900122

IUPACmethyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate
SMILESCOC(=O)C1(O)CC(OC)OC1(C)OC
InChIInChI=1S/C9H16O6/c1-8(14-4)9(11,7(10)13-3)5-6(12-2)15-8/h6,11H,5H2,1-4H3
InChIKeyQISLDYCDVJHPSK-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.35
Rot. Bonds3

About methyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate

methyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate (PubChem CID 10900122) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is methyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate
PubChem CID10900122
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Namemethyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate
SMILESCOC(=O)C1(O)CC(OC)OC1(C)OC
InChIInChI=1S/C9H16O6/c1-8(14-4)9(11,7(10)13-3)5-6(12-2)15-8/h6,11H,5H2,1-4H3
InChIKeyQISLDYCDVJHPSK-UHFFFAOYSA-N
XLogP-0.35
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate?
The IUPAC name of methyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate (CID 10900122) is methyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate?
The canonical SMILES for methyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate is COC(=O)C1(O)CC(OC)OC1(C)OC.
What is the InChIKey of methyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate?
The InChIKey is QISLDYCDVJHPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O6/c1-8(14-4)9(11,7(10)13-3)5-6(12-2)15-8/h6,11H,5H2,1-4H3.
What are the key properties of methyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate?
methyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate has a molecular weight of 220.22 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2,5-dimethoxy-2-methyloxolane-3-carboxylate is sourced from PubChem (CID 10900122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).