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

C8H10O6 — CID 18353915

IUPAC(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate
SMILESC=CC1OC(=O)OC1COC(=O)OC
InChIInChI=1S/C8H10O6/c1-3-5-6(14-8(10)13-5)4-12-7(9)11-2/h3,5-6H,1,4H2,2H3
InChIKeyAAXCWTGMDPSOSV-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.86
Rot. Bonds3

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

(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate (PubChem CID 18353915) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate.

Molecular Properties

Compound Name(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate
PubChem CID18353915
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate
SMILESC=CC1OC(=O)OC1COC(=O)OC
InChIInChI=1S/C8H10O6/c1-3-5-6(14-8(10)13-5)4-12-7(9)11-2/h3,5-6H,1,4H2,2H3
InChIKeyAAXCWTGMDPSOSV-UHFFFAOYSA-N
XLogP0.86
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate?
The IUPAC name of (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate (CID 18353915) is (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate.
What is the SMILES notation for (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate?
The canonical SMILES for (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate is C=CC1OC(=O)OC1COC(=O)OC.
What is the InChIKey of (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate?
The InChIKey is AAXCWTGMDPSOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c1-3-5-6(14-8(10)13-5)4-12-7(9)11-2/h3,5-6H,1,4H2,2H3.
What are the key properties of (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate?
(5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate has a molecular weight of 202.16 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl methyl carbonate is sourced from PubChem (CID 18353915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).