methyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate

C7H10O5 — CID 58012594

IUPACmethyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate
SMILESC=C1OCC(COC(=O)OC)O1
InChIInChI=1S/C7H10O5/c1-5-10-3-6(12-5)4-11-7(8)9-2/h6H,1,3-4H2,2H3
InChIKeyQOBATSPGUJHEOC-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.66
Rot. Bonds2

About methyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate

methyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate (PubChem CID 58012594) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is methyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate.

Molecular Properties

Compound Namemethyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate
PubChem CID58012594
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Namemethyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate
SMILESC=C1OCC(COC(=O)OC)O1
InChIInChI=1S/C7H10O5/c1-5-10-3-6(12-5)4-11-7(8)9-2/h6H,1,3-4H2,2H3
InChIKeyQOBATSPGUJHEOC-UHFFFAOYSA-N
XLogP0.66
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate?
The IUPAC name of methyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate (CID 58012594) is methyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate.
What is the SMILES notation for methyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate?
The canonical SMILES for methyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate is C=C1OCC(COC(=O)OC)O1.
What is the InChIKey of methyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate?
The InChIKey is QOBATSPGUJHEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c1-5-10-3-6(12-5)4-11-7(8)9-2/h6H,1,3-4H2,2H3.
What are the key properties of methyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate?
methyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate has a molecular weight of 174.15 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate is sourced from PubChem (CID 58012594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).