methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate

C7H8O6 — CID 164575426

IUPACmethyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate
SMILESCOC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C7H8O6/c1-4-5(13-7(9)12-4)3-11-6(8)10-2/h3H2,1-2H3
InChIKeySTMRIEYXHGUBTK-UHFFFAOYSA-N
MW188.13 g/mol
LogP0.82
Rot. Bonds2

About methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate

methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate (PubChem CID 164575426) has the molecular formula C7H8O6 and a molecular weight of 188.13 g/mol. Its IUPAC name is methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate.

Molecular Properties

Compound Namemethyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate
PubChem CID164575426
Molecular FormulaC7H8O6
Molecular Weight188.13 g/mol
Exact Mass188.03
IUPAC Namemethyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate
SMILESCOC(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C7H8O6/c1-4-5(13-7(9)12-4)3-11-6(8)10-2/h3H2,1-2H3
InChIKeySTMRIEYXHGUBTK-UHFFFAOYSA-N
XLogP0.82
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate?
The IUPAC name of methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate (CID 164575426) is methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate.
What is the SMILES notation for methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate?
The canonical SMILES for methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate is COC(=O)OCc1oc(=O)oc1C.
What is the InChIKey of methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate?
The InChIKey is STMRIEYXHGUBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O6/c1-4-5(13-7(9)12-4)3-11-6(8)10-2/h3H2,1-2H3.
What are the key properties of methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate?
methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate has a molecular weight of 188.13 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl carbonate is sourced from PubChem (CID 164575426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).