2,3-dibromopropyl prop-2-enoate

C6H8Br2O2 — CID 29728

IUPAC2,3-dibromopropyl prop-2-enoate
SMILESC=CC(=O)OCC(Br)CBr
InChIInChI=1S/C6H8Br2O2/c1-2-6(9)10-4-5(8)3-7/h2,5H,1,3-4H2
InChIKeyMUKJDVAYJDKPAG-UHFFFAOYSA-N
MW271.94 g/mol
LogP1.87
Rot. Bonds4

About 2,3-dibromopropyl prop-2-enoate

2,3-dibromopropyl prop-2-enoate (PubChem CID 29728) has the molecular formula C6H8Br2O2 and a molecular weight of 271.94 g/mol. Its IUPAC name is 2,3-dibromopropyl prop-2-enoate.

Molecular Properties

Compound Name2,3-dibromopropyl prop-2-enoate
PubChem CID29728
Molecular FormulaC6H8Br2O2
Molecular Weight271.94 g/mol
Exact Mass269.89
IUPAC Name2,3-dibromopropyl prop-2-enoate
SMILESC=CC(=O)OCC(Br)CBr
InChIInChI=1S/C6H8Br2O2/c1-2-6(9)10-4-5(8)3-7/h2,5H,1,3-4H2
InChIKeyMUKJDVAYJDKPAG-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.94
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2-hydroxypropyl) prop-2-enoate
CID 54425888
2,3-dibromopropyl carbamate
CID 541684
2,2-bis(sulfanyl)ethyl prop-2-enoate
CID 150173166
[bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate
CID 58984040
2-hydroxy-3-prop-2-enoyloxypropanoic acid
CID 118523879
(2-hydroxy-2-sulfanylethyl) prop-2-enoate
CID 150473785
[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate;methane
CID 158073431
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
[(2R,3R)-2,3,4-trihydroxybutyl] prop-2-enoate
CID 87646128
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
(2-hydroxy-3-sulfanylpropyl) prop-2-enoate
CID 90160037
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromopropyl prop-2-enoate?
The IUPAC name of 2,3-dibromopropyl prop-2-enoate (CID 29728) is 2,3-dibromopropyl prop-2-enoate.
What is the SMILES notation for 2,3-dibromopropyl prop-2-enoate?
The canonical SMILES for 2,3-dibromopropyl prop-2-enoate is C=CC(=O)OCC(Br)CBr.
What is the InChIKey of 2,3-dibromopropyl prop-2-enoate?
The InChIKey is MUKJDVAYJDKPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br2O2/c1-2-6(9)10-4-5(8)3-7/h2,5H,1,3-4H2.
What are the key properties of 2,3-dibromopropyl prop-2-enoate?
2,3-dibromopropyl prop-2-enoate has a molecular weight of 271.94 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromopropyl prop-2-enoate is sourced from PubChem (CID 29728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).