bis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane

C12H20Br2O3 — CID 20510734

IUPACbis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane
SMILESC=CCOC(=O)OCC=C.CC(C)(CBr)CBr
InChIInChI=1S/C7H10O3.C5H10Br2/c1-3-5-9-7(8)10-6-4-2;1-5(2,3-6)4-7/h3-4H,1-2,5-6H2;3-4H2,1-2H3
InChIKeyWQIZFKCRSGHHIH-UHFFFAOYSA-N
MW372.10 g/mol
LogP4.31
Rot. Bonds6

About bis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane

bis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane (PubChem CID 20510734) has the molecular formula C12H20Br2O3 and a molecular weight of 372.10 g/mol. Its IUPAC name is bis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane.

Molecular Properties

Compound Namebis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane
PubChem CID20510734
Molecular FormulaC12H20Br2O3
Molecular Weight372.10 g/mol
Exact Mass369.98
IUPAC Namebis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane
SMILESC=CCOC(=O)OCC=C.CC(C)(CBr)CBr
InChIInChI=1S/C7H10O3.C5H10Br2/c1-3-5-9-7(8)10-6-4-2;1-5(2,3-6)4-7/h3-4H,1-2,5-6H2;3-4H2,1-2H3
InChIKeyWQIZFKCRSGHHIH-UHFFFAOYSA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.10
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane?
The IUPAC name of bis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane (CID 20510734) is bis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane.
What is the SMILES notation for bis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane?
The canonical SMILES for bis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane is C=CCOC(=O)OCC=C.CC(C)(CBr)CBr.
What is the InChIKey of bis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane?
The InChIKey is WQIZFKCRSGHHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C5H10Br2/c1-3-5-9-7(8)10-6-4-2;1-5(2,3-6)4-7/h3-4H,1-2,5-6H2;3-4H2,1-2H3.
What are the key properties of bis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane?
bis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane has a molecular weight of 372.10 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) carbonate;1,3-dibromo-2,2-dimethylpropane is sourced from PubChem (CID 20510734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).