methyl 2-methyl-1,3-dioxolane-4-carboxylate

C6H10O4 — CID 18964615

IUPACmethyl 2-methyl-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)C1COC(C)O1
InChIInChI=1S/C6H10O4/c1-4-9-3-5(10-4)6(7)8-2/h4-5H,3H2,1-2H3
InChIKeyIBHFOPUKUAGUMD-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.08
Rot. Bonds1

About methyl 2-methyl-1,3-dioxolane-4-carboxylate

methyl 2-methyl-1,3-dioxolane-4-carboxylate (PubChem CID 18964615) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is methyl 2-methyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1,3-dioxolane-4-carboxylate
PubChem CID18964615
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Namemethyl 2-methyl-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)C1COC(C)O1
InChIInChI=1S/C6H10O4/c1-4-9-3-5(10-4)6(7)8-2/h4-5H,3H2,1-2H3
InChIKeyIBHFOPUKUAGUMD-UHFFFAOYSA-N
XLogP-0.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl 2-methyl-1,3-dioxolane-4-carboxylate (CID 18964615) is methyl 2-methyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl 2-methyl-1,3-dioxolane-4-carboxylate is COC(=O)C1COC(C)O1.
What is the InChIKey of methyl 2-methyl-1,3-dioxolane-4-carboxylate?
The InChIKey is IBHFOPUKUAGUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-4-9-3-5(10-4)6(7)8-2/h4-5H,3H2,1-2H3.
What are the key properties of methyl 2-methyl-1,3-dioxolane-4-carboxylate?
methyl 2-methyl-1,3-dioxolane-4-carboxylate has a molecular weight of 146.14 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 18964615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).