(3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate

C8H11BrO2 — CID 139950789

IUPAC(3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)=CBr
InChIInChI=1S/C8H11BrO2/c1-6(2)8(10)11-5-7(3)4-9/h4H,1,5H2,2-3H3
InChIKeySJYXURXWSWATTM-UHFFFAOYSA-N
MW219.08 g/mol
LogP2.40
Rot. Bonds3

About (3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate

(3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate (PubChem CID 139950789) has the molecular formula C8H11BrO2 and a molecular weight of 219.08 g/mol. Its IUPAC name is (3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate
PubChem CID139950789
Molecular FormulaC8H11BrO2
Molecular Weight219.08 g/mol
Exact Mass217.99
IUPAC Name(3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)=CBr
InChIInChI=1S/C8H11BrO2/c1-6(2)8(10)11-5-7(3)4-9/h4H,1,5H2,2-3H3
InChIKeySJYXURXWSWATTM-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 87168536
[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58663419
(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
CID 22289237
ethene;[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 173091400
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
ethyl 2-methylprop-2-enoate
CID 130475774
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
1-(2-methylprop-2-enoyloxy)but-2-en-2-ylphosphonic acid
CID 123575753
2-methylidenehex-4-enyl 2-methylprop-2-enoate
CID 57198938

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate?
The IUPAC name of (3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate (CID 139950789) is (3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate?
The canonical SMILES for (3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)=CBr.
What is the InChIKey of (3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate?
The InChIKey is SJYXURXWSWATTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrO2/c1-6(2)8(10)11-5-7(3)4-9/h4H,1,5H2,2-3H3.
What are the key properties of (3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate?
(3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate has a molecular weight of 219.08 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate is sourced from PubChem (CID 139950789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).