(2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate

C8H10O6 — CID 54354924

IUPAC(2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate
SMILESCC=COC(=O)OCC1COC(=O)O1
InChIInChI=1S/C8H10O6/c1-2-3-11-7(9)12-4-6-5-13-8(10)14-6/h2-3,6H,4-5H2,1H3
InChIKeyUILJMVBFMIYSQJ-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.21
Rot. Bonds3

About (2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate

(2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate (PubChem CID 54354924) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate
PubChem CID54354924
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name(2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate
SMILESCC=COC(=O)OCC1COC(=O)O1
InChIInChI=1S/C8H10O6/c1-2-3-11-7(9)12-4-6-5-13-8(10)14-6/h2-3,6H,4-5H2,1H3
InChIKeyUILJMVBFMIYSQJ-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate (CID 54354924) is (2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate is CC=COC(=O)OCC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate?
The InChIKey is UILJMVBFMIYSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c1-2-3-11-7(9)12-4-6-5-13-8(10)14-6/h2-3,6H,4-5H2,1H3.
What are the key properties of (2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate?
(2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate has a molecular weight of 202.16 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate is sourced from PubChem (CID 54354924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).