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

C10H12O6 — CID 18353913

IUPAC(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC1(C=C)COC(=O)O1
InChIInChI=1S/C10H12O6/c1-3-5-13-8(11)14-6-10(4-2)7-15-9(12)16-10/h3-4H,1-2,5-7H2
InChIKeyGTRJUOSGIJJFAQ-UHFFFAOYSA-N
MW228.20 g/mol
LogP1.42
Rot. Bonds5

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

(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate (PubChem CID 18353913) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate.

Molecular Properties

Compound Name(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate
PubChem CID18353913
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC1(C=C)COC(=O)O1
InChIInChI=1S/C10H12O6/c1-3-5-13-8(11)14-6-10(4-2)7-15-9(12)16-10/h3-4H,1-2,5-7H2
InChIKeyGTRJUOSGIJJFAQ-UHFFFAOYSA-N
XLogP1.42
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 51.42
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 (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate?
The IUPAC name of (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate (CID 18353913) is (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate.
What is the SMILES notation for (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate?
The canonical SMILES for (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate is C=CCOC(=O)OCC1(C=C)COC(=O)O1.
What is the InChIKey of (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate?
The InChIKey is GTRJUOSGIJJFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-3-5-13-8(11)14-6-10(4-2)7-15-9(12)16-10/h3-4H,1-2,5-7H2.
What are the key properties of (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate?
(4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate has a molecular weight of 228.20 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate is sourced from PubChem (CID 18353913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).