2-(2-bromopropoxy)ethyl prop-2-enoate

C8H13BrO3 — CID 57007921

IUPAC2-(2-bromopropoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC(C)Br
InChIInChI=1S/C8H13BrO3/c1-3-8(10)12-5-4-11-6-7(2)9/h3,7H,1,4-6H2,2H3
InChIKeyKQDLSBOVYWEJLT-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.52
Rot. Bonds6

About 2-(2-bromopropoxy)ethyl prop-2-enoate

2-(2-bromopropoxy)ethyl prop-2-enoate (PubChem CID 57007921) has the molecular formula C8H13BrO3 and a molecular weight of 237.09 g/mol. Its IUPAC name is 2-(2-bromopropoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-bromopropoxy)ethyl prop-2-enoate
PubChem CID57007921
Molecular FormulaC8H13BrO3
Molecular Weight237.09 g/mol
Exact Mass236.00
IUPAC Name2-(2-bromopropoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCC(C)Br
InChIInChI=1S/C8H13BrO3/c1-3-8(10)12-5-4-11-6-7(2)9/h3,7H,1,4-6H2,2H3
InChIKeyKQDLSBOVYWEJLT-UHFFFAOYSA-N
XLogP1.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-aminopropoxy)ethyl prop-2-enoate
CID 54040503
2-(2-hydroperoxypropoxy)ethyl prop-2-enoate
CID 118433563
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
bis(prop-1-ene);2-[2-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 118062251
2-[2-[2-(2-prop-2-enoyloxyethoxy)propoxy]propoxy]ethyl prop-2-enoate
CID 154586565
2-(2-prop-2-enoyloxyethoxymethyl)propanedioic acid
CID 172861993
2-[2-(hydroxymethyl)-3-(2-prop-2-enoyloxyethoxy)propoxy]ethyl prop-2-enoate
CID 89425808
2-[2,2-bis(ethenoxy)ethoxy]ethyl prop-2-enoate
CID 176551024
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-[2-(1-ethenoxypropan-2-yloxy)ethoxy]ethyl prop-2-enoate
CID 165147394
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 88684060

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopropoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(2-bromopropoxy)ethyl prop-2-enoate (CID 57007921) is 2-(2-bromopropoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-bromopropoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-bromopropoxy)ethyl prop-2-enoate is C=CC(=O)OCCOCC(C)Br.
What is the InChIKey of 2-(2-bromopropoxy)ethyl prop-2-enoate?
The InChIKey is KQDLSBOVYWEJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrO3/c1-3-8(10)12-5-4-11-6-7(2)9/h3,7H,1,4-6H2,2H3.
What are the key properties of 2-(2-bromopropoxy)ethyl prop-2-enoate?
2-(2-bromopropoxy)ethyl prop-2-enoate has a molecular weight of 237.09 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopropoxy)ethyl prop-2-enoate is sourced from PubChem (CID 57007921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).