methyl 3-hydroxyoxolane-3-carboxylate

C6H10O4 — CID 63333090

IUPACmethyl 3-hydroxyoxolane-3-carboxylate
SMILESCOC(=O)C1(O)CCOC1
InChIInChI=1S/C6H10O4/c1-9-5(7)6(8)2-3-10-4-6/h8H,2-4H2,1H3
InChIKeyQPRKVXUJICVISB-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.69
Rot. Bonds1

About methyl 3-hydroxyoxolane-3-carboxylate

methyl 3-hydroxyoxolane-3-carboxylate (PubChem CID 63333090) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is methyl 3-hydroxyoxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxyoxolane-3-carboxylate
PubChem CID63333090
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Namemethyl 3-hydroxyoxolane-3-carboxylate
SMILESCOC(=O)C1(O)CCOC1
InChIInChI=1S/C6H10O4/c1-9-5(7)6(8)2-3-10-4-6/h8H,2-4H2,1H3
InChIKeyQPRKVXUJICVISB-UHFFFAOYSA-N
XLogP-0.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxyoxolane-3-carboxylate?
The IUPAC name of methyl 3-hydroxyoxolane-3-carboxylate (CID 63333090) is methyl 3-hydroxyoxolane-3-carboxylate.
What is the SMILES notation for methyl 3-hydroxyoxolane-3-carboxylate?
The canonical SMILES for methyl 3-hydroxyoxolane-3-carboxylate is COC(=O)C1(O)CCOC1.
What is the InChIKey of methyl 3-hydroxyoxolane-3-carboxylate?
The InChIKey is QPRKVXUJICVISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-9-5(7)6(8)2-3-10-4-6/h8H,2-4H2,1H3.
What are the key properties of methyl 3-hydroxyoxolane-3-carboxylate?
methyl 3-hydroxyoxolane-3-carboxylate has a molecular weight of 146.14 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxyoxolane-3-carboxylate is sourced from PubChem (CID 63333090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).