7-tribromosilylheptyl 2-methylprop-2-enoate

C11H19Br3O2Si — CID 156681371

IUPAC7-tribromosilylheptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCC[Si](Br)(Br)Br
InChIInChI=1S/C11H19Br3O2Si/c1-10(2)11(15)16-8-6-4-3-5-7-9-17(12,13)14/h1,3-9H2,2H3
InChIKeyCMBIPZFVEHHECS-UHFFFAOYSA-N
MW451.07 g/mol
LogP5.18
Rot. Bonds9

About 7-tribromosilylheptyl 2-methylprop-2-enoate

7-tribromosilylheptyl 2-methylprop-2-enoate (PubChem CID 156681371) has the molecular formula C11H19Br3O2Si and a molecular weight of 451.07 g/mol. Its IUPAC name is 7-tribromosilylheptyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name7-tribromosilylheptyl 2-methylprop-2-enoate
PubChem CID156681371
Molecular FormulaC11H19Br3O2Si
Molecular Weight451.07 g/mol
Exact Mass447.87
IUPAC Name7-tribromosilylheptyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCC[Si](Br)(Br)Br
InChIInChI=1S/C11H19Br3O2Si/c1-10(2)11(15)16-8-6-4-3-5-7-9-17(12,13)14/h1,3-9H2,2H3
InChIKeyCMBIPZFVEHHECS-UHFFFAOYSA-N
XLogP5.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.07
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tribromosilylbutyl 2-methylprop-2-enoate
CID 156681575
18-triiodosilyloctadecyl 2-methylprop-2-enoate
CID 156681536
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
14-trichlorosilyltetradecyl 2-methylprop-2-enoate
CID 156681386
20-trifluorosilylicosyl 2-methylprop-2-enoate
CID 156681437
17-trichlorosilylheptadecyl 2-methylprop-2-enoate
CID 156681417
14-[iodo(dimethyl)silyl]tetradecyl 2-methylprop-2-enoate
CID 156681283
12-[iodo(dimethyl)silyl]dodecyl 2-methylprop-2-enoate
CID 156681481
10-[iodo(dimethyl)silyl]decyl 2-methylprop-2-enoate
CID 156681385
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate
CID 139796033

Frequently Asked Questions

What is the IUPAC name of 7-tribromosilylheptyl 2-methylprop-2-enoate?
The IUPAC name of 7-tribromosilylheptyl 2-methylprop-2-enoate (CID 156681371) is 7-tribromosilylheptyl 2-methylprop-2-enoate.
What is the SMILES notation for 7-tribromosilylheptyl 2-methylprop-2-enoate?
The canonical SMILES for 7-tribromosilylheptyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCC[Si](Br)(Br)Br.
What is the InChIKey of 7-tribromosilylheptyl 2-methylprop-2-enoate?
The InChIKey is CMBIPZFVEHHECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Br3O2Si/c1-10(2)11(15)16-8-6-4-3-5-7-9-17(12,13)14/h1,3-9H2,2H3.
What are the key properties of 7-tribromosilylheptyl 2-methylprop-2-enoate?
7-tribromosilylheptyl 2-methylprop-2-enoate has a molecular weight of 451.07 g/mol, XLogP of 5.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tribromosilylheptyl 2-methylprop-2-enoate is sourced from PubChem (CID 156681371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).