bis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate

C11H14O6 — CID 134599829

IUPACbis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate
SMILESC=CCOC(=O)C1OCOC1C(=O)OCC=C
InChIInChI=1S/C11H14O6/c1-3-5-14-10(12)8-9(17-7-16-8)11(13)15-6-4-2/h3-4,8-9H,1-2,5-7H2
InChIKeyDSIPNASMGONDIT-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.19
Rot. Bonds6

About bis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate

bis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate (PubChem CID 134599829) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is bis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namebis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate
PubChem CID134599829
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Namebis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate
SMILESC=CCOC(=O)C1OCOC1C(=O)OCC=C
InChIInChI=1S/C11H14O6/c1-3-5-14-10(12)8-9(17-7-16-8)11(13)15-6-4-2/h3-4,8-9H,1-2,5-7H2
InChIKeyDSIPNASMGONDIT-UHFFFAOYSA-N
XLogP0.19
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.19
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 bis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of bis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate (CID 134599829) is bis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for bis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for bis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate is C=CCOC(=O)C1OCOC1C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is DSIPNASMGONDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-3-5-14-10(12)8-9(17-7-16-8)11(13)15-6-4-2/h3-4,8-9H,1-2,5-7H2.
What are the key properties of bis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate?
bis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 242.23 g/mol, XLogP of 0.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 134599829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).