methyl 2-methylprop-2-enoate;tribromobismuthane

C5H8BiBr3O2 — CID 88520030

IUPACmethyl 2-methylprop-2-enoate;tribromobismuthane
SMILESBr[Bi](Br)Br.C=C(C)C(=O)OC
InChIInChI=1S/C5H8O2.Bi.3BrH/c1-4(2)5(6)7-3;;;;/h1H2,2-3H3;;3*1H/q;+3;;;/p-3
InChIKeyPBTNDFKJUXLQMG-UHFFFAOYSA-K
MW548.81 g/mol
LogP2.89
Rot. Bonds1

About methyl 2-methylprop-2-enoate;tribromobismuthane

methyl 2-methylprop-2-enoate;tribromobismuthane (PubChem CID 88520030) has the molecular formula C5H8BiBr3O2 and a molecular weight of 548.81 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;tribromobismuthane.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;tribromobismuthane
PubChem CID88520030
Molecular FormulaC5H8BiBr3O2
Molecular Weight548.81 g/mol
Exact Mass545.79
IUPAC Namemethyl 2-methylprop-2-enoate;tribromobismuthane
SMILESBr[Bi](Br)Br.C=C(C)C(=O)OC
InChIInChI=1S/C5H8O2.Bi.3BrH/c1-4(2)5(6)7-3;;;;/h1H2,2-3H3;;3*1H/q;+3;;;/p-3
InChIKeyPBTNDFKJUXLQMG-UHFFFAOYSA-K
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.81
LogP ≤ 52.89
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

methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
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methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033
carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
acetic acid;acetylene;methyl 2-methylprop-2-enoate
CID 88821199
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;trihydrochloride
CID 172746567

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;tribromobismuthane?
The IUPAC name of methyl 2-methylprop-2-enoate;tribromobismuthane (CID 88520030) is methyl 2-methylprop-2-enoate;tribromobismuthane.
What is the SMILES notation for methyl 2-methylprop-2-enoate;tribromobismuthane?
The canonical SMILES for methyl 2-methylprop-2-enoate;tribromobismuthane is Br[Bi](Br)Br.C=C(C)C(=O)OC.
What is the InChIKey of methyl 2-methylprop-2-enoate;tribromobismuthane?
The InChIKey is PBTNDFKJUXLQMG-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H8O2.Bi.3BrH/c1-4(2)5(6)7-3;;;;/h1H2,2-3H3;;3*1H/q;+3;;;/p-3.
What are the key properties of methyl 2-methylprop-2-enoate;tribromobismuthane?
methyl 2-methylprop-2-enoate;tribromobismuthane has a molecular weight of 548.81 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;tribromobismuthane is sourced from PubChem (CID 88520030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).