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

C6H6O6 — CID 90440419

IUPACmethyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate
SMILESCOC(=O)OCc1coc(=O)o1
InChIInChI=1S/C6H6O6/c1-9-5(7)10-2-4-3-11-6(8)12-4/h3H,2H2,1H3
InChIKeyBPRSASPSUQAOHI-UHFFFAOYSA-N
MW174.11 g/mol
LogP0.52
Rot. Bonds2

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

methyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate (PubChem CID 90440419) has the molecular formula C6H6O6 and a molecular weight of 174.11 g/mol. Its IUPAC name is methyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate.

Molecular Properties

Compound Namemethyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate
PubChem CID90440419
Molecular FormulaC6H6O6
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Namemethyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate
SMILESCOC(=O)OCc1coc(=O)o1
InChIInChI=1S/C6H6O6/c1-9-5(7)10-2-4-3-11-6(8)12-4/h3H,2H2,1H3
InChIKeyBPRSASPSUQAOHI-UHFFFAOYSA-N
XLogP0.52
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate?
The IUPAC name of methyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate (CID 90440419) is methyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate.
What is the SMILES notation for methyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate?
The canonical SMILES for methyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate is COC(=O)OCc1coc(=O)o1.
What is the InChIKey of methyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate?
The InChIKey is BPRSASPSUQAOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O6/c1-9-5(7)10-2-4-3-11-6(8)12-4/h3H,2H2,1H3.
What are the key properties of methyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate?
methyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate has a molecular weight of 174.11 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2-oxo-1,3-dioxol-4-yl)methyl carbonate is sourced from PubChem (CID 90440419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).