1,1,2-tribromoethyl 2-methylprop-2-enoate

C6H7Br3O2 — CID 87486491

IUPAC1,1,2-tribromoethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(Br)(Br)CBr
InChIInChI=1S/C6H7Br3O2/c1-4(2)5(10)11-6(8,9)3-7/h1,3H2,2H3
InChIKeyAAZWGJVRSMONGQ-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.94
Rot. Bonds3

About 1,1,2-tribromoethyl 2-methylprop-2-enoate

1,1,2-tribromoethyl 2-methylprop-2-enoate (PubChem CID 87486491) has the molecular formula C6H7Br3O2 and a molecular weight of 350.83 g/mol. Its IUPAC name is 1,1,2-tribromoethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,1,2-tribromoethyl 2-methylprop-2-enoate
PubChem CID87486491
Molecular FormulaC6H7Br3O2
Molecular Weight350.83 g/mol
Exact Mass347.80
IUPAC Name1,1,2-tribromoethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(Br)(Br)CBr
InChIInChI=1S/C6H7Br3O2/c1-4(2)5(10)11-6(8,9)3-7/h1,3H2,2H3
InChIKeyAAZWGJVRSMONGQ-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.94
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

[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
[2-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 139619196
[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate
CID 87627513
1,1,3,3,3-pentafluoropropyl 2-methylprop-2-enoate;trifluoromethyl 2-methylprop-2-enoate
CID 123374776
1,1,2-triaminoethyl 2-methylprop-2-enoate;hydrochloride
CID 87615318
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 142750800
2-[2-(2-methylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 2-methylprop-2-enoate
CID 150274011
[4-hydroxy-3,3-bis(hydroxymethyl)-1,1-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 172736329
[4-hydroxy-1,1-bis(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 87402298

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tribromoethyl 2-methylprop-2-enoate?
The IUPAC name of 1,1,2-tribromoethyl 2-methylprop-2-enoate (CID 87486491) is 1,1,2-tribromoethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,1,2-tribromoethyl 2-methylprop-2-enoate?
The canonical SMILES for 1,1,2-tribromoethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(Br)(Br)CBr.
What is the InChIKey of 1,1,2-tribromoethyl 2-methylprop-2-enoate?
The InChIKey is AAZWGJVRSMONGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Br3O2/c1-4(2)5(10)11-6(8,9)3-7/h1,3H2,2H3.
What are the key properties of 1,1,2-tribromoethyl 2-methylprop-2-enoate?
1,1,2-tribromoethyl 2-methylprop-2-enoate has a molecular weight of 350.83 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tribromoethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87486491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).