2-prop-2-enoyloxyethyl 2-bromopropanoate

C8H11BrO4 — CID 10131189

IUPAC2-prop-2-enoyloxyethyl 2-bromopropanoate
SMILESC=CC(=O)OCCOC(=O)C(C)Br
InChIInChI=1S/C8H11BrO4/c1-3-7(10)12-4-5-13-8(11)6(2)9/h3,6H,1,4-5H2,2H3
InChIKeyYOGWMNBVPWGQRK-UHFFFAOYSA-N
MW251.08 g/mol
LogP1.04
Rot. Bonds5

About 2-prop-2-enoyloxyethyl 2-bromopropanoate

2-prop-2-enoyloxyethyl 2-bromopropanoate (PubChem CID 10131189) has the molecular formula C8H11BrO4 and a molecular weight of 251.08 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethyl 2-bromopropanoate.

Molecular Properties

Compound Name2-prop-2-enoyloxyethyl 2-bromopropanoate
PubChem CID10131189
Molecular FormulaC8H11BrO4
Molecular Weight251.08 g/mol
Exact Mass249.98
IUPAC Name2-prop-2-enoyloxyethyl 2-bromopropanoate
SMILESC=CC(=O)OCCOC(=O)C(C)Br
InChIInChI=1S/C8H11BrO4/c1-3-7(10)12-4-5-13-8(11)6(2)9/h3,6H,1,4-5H2,2H3
InChIKeyYOGWMNBVPWGQRK-UHFFFAOYSA-N
XLogP1.04
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromopropoxy)ethyl prop-2-enoate
CID 57007921
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-acetyloxyethyl prop-2-enoate;tris(propan-2-ol);titanium(4+)
CID 11257663
2-prop-2-enoyloxyethyl 2,4,4-trimethylpentanoate
CID 134267929
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
2-(2-aminopropoxy)ethyl prop-2-enoate
CID 54040503
2-propan-2-ylsulfanylethyl prop-2-enoate
CID 58422252
icosakis(2-prop-2-enoyloxyethyl) 1-methylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylate
CID 58241540
2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
CID 140791658
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate
CID 13205776
1-O-[2-(2-methylbutanoyloxy)ethyl] 5-O-(2-prop-2-enoyloxyethyl) 4-ethyl-2-methylpentanedioate
CID 166589996
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethyl 2-bromopropanoate?
The IUPAC name of 2-prop-2-enoyloxyethyl 2-bromopropanoate (CID 10131189) is 2-prop-2-enoyloxyethyl 2-bromopropanoate.
What is the SMILES notation for 2-prop-2-enoyloxyethyl 2-bromopropanoate?
The canonical SMILES for 2-prop-2-enoyloxyethyl 2-bromopropanoate is C=CC(=O)OCCOC(=O)C(C)Br.
What is the InChIKey of 2-prop-2-enoyloxyethyl 2-bromopropanoate?
The InChIKey is YOGWMNBVPWGQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO4/c1-3-7(10)12-4-5-13-8(11)6(2)9/h3,6H,1,4-5H2,2H3.
What are the key properties of 2-prop-2-enoyloxyethyl 2-bromopropanoate?
2-prop-2-enoyloxyethyl 2-bromopropanoate has a molecular weight of 251.08 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethyl 2-bromopropanoate is sourced from PubChem (CID 10131189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).