bis(prop-2-enyl) carbonate;1-bromobutane

C11H19BrO3 — CID 88693559

IUPACbis(prop-2-enyl) carbonate;1-bromobutane
SMILESC=CCOC(=O)OCC=C.CCCCBr
InChIInChI=1S/C7H10O3.C4H9Br/c1-3-5-9-7(8)10-6-4-2;1-2-3-4-5/h3-4H,1-2,5-6H2;2-4H2,1H3
InChIKeyOIAMHEUKYLSWRH-UHFFFAOYSA-N
MW279.17 g/mol
LogP3.69
Rot. Bonds6

About bis(prop-2-enyl) carbonate;1-bromobutane

bis(prop-2-enyl) carbonate;1-bromobutane (PubChem CID 88693559) has the molecular formula C11H19BrO3 and a molecular weight of 279.17 g/mol. Its IUPAC name is bis(prop-2-enyl) carbonate;1-bromobutane.

Molecular Properties

Compound Namebis(prop-2-enyl) carbonate;1-bromobutane
PubChem CID88693559
Molecular FormulaC11H19BrO3
Molecular Weight279.17 g/mol
Exact Mass278.05
IUPAC Namebis(prop-2-enyl) carbonate;1-bromobutane
SMILESC=CCOC(=O)OCC=C.CCCCBr
InChIInChI=1S/C7H10O3.C4H9Br/c1-3-5-9-7(8)10-6-4-2;1-2-3-4-5/h3-4H,1-2,5-6H2;2-4H2,1H3
InChIKeyOIAMHEUKYLSWRH-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 53.69
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-bromobutane?
The IUPAC name of bis(prop-2-enyl) carbonate;1-bromobutane (CID 88693559) is bis(prop-2-enyl) carbonate;1-bromobutane.
What is the SMILES notation for bis(prop-2-enyl) carbonate;1-bromobutane?
The canonical SMILES for bis(prop-2-enyl) carbonate;1-bromobutane is C=CCOC(=O)OCC=C.CCCCBr.
What is the InChIKey of bis(prop-2-enyl) carbonate;1-bromobutane?
The InChIKey is OIAMHEUKYLSWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C4H9Br/c1-3-5-9-7(8)10-6-4-2;1-2-3-4-5/h3-4H,1-2,5-6H2;2-4H2,1H3.
What are the key properties of bis(prop-2-enyl) carbonate;1-bromobutane?
bis(prop-2-enyl) carbonate;1-bromobutane has a molecular weight of 279.17 g/mol, XLogP of 3.69, 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-bromobutane is sourced from PubChem (CID 88693559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).