5-tribromosilylpentyl prop-2-enoate

C8H13Br3O2Si — CID 156681433

IUPAC5-tribromosilylpentyl prop-2-enoate
SMILESC=CC(=O)OCCCCC[Si](Br)(Br)Br
InChIInChI=1S/C8H13Br3O2Si/c1-2-8(12)13-6-4-3-5-7-14(9,10)11/h2H,1,3-7H2
InChIKeyHLFUOWBBFANKJK-UHFFFAOYSA-N
MW408.99 g/mol
LogP4.01
Rot. Bonds7

About 5-tribromosilylpentyl prop-2-enoate

5-tribromosilylpentyl prop-2-enoate (PubChem CID 156681433) has the molecular formula C8H13Br3O2Si and a molecular weight of 408.99 g/mol. Its IUPAC name is 5-tribromosilylpentyl prop-2-enoate.

Molecular Properties

Compound Name5-tribromosilylpentyl prop-2-enoate
PubChem CID156681433
Molecular FormulaC8H13Br3O2Si
Molecular Weight408.99 g/mol
Exact Mass405.82
IUPAC Name5-tribromosilylpentyl prop-2-enoate
SMILESC=CC(=O)OCCCCC[Si](Br)(Br)Br
InChIInChI=1S/C8H13Br3O2Si/c1-2-8(12)13-6-4-3-5-7-14(9,10)11/h2H,1,3-7H2
InChIKeyHLFUOWBBFANKJK-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.99
LogP ≤ 54.01
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

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
5-trifluorosilylpentyl prop-2-enoate
CID 156681471
6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate
CID 89309257
4-trichlorosilylbutyl prop-2-enoate
CID 54422038
5-[dichloro(methyl)silyl]pentyl prop-2-enoate
CID 171535330
8-[methoxy(dimethyl)silyl]octyl prop-2-enoate
CID 140662219
10-hydroxydecyl prop-2-enoate
CID 14715958
3-[tris(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
CID 140784915
19-hydroxynonadecyl prop-2-enoate
CID 20625688
11-hydroxyundecyl prop-2-enoate
CID 54223498
12-hydroxydodecyl prop-2-enoate
CID 19859974

Frequently Asked Questions

What is the IUPAC name of 5-tribromosilylpentyl prop-2-enoate?
The IUPAC name of 5-tribromosilylpentyl prop-2-enoate (CID 156681433) is 5-tribromosilylpentyl prop-2-enoate.
What is the SMILES notation for 5-tribromosilylpentyl prop-2-enoate?
The canonical SMILES for 5-tribromosilylpentyl prop-2-enoate is C=CC(=O)OCCCCC[Si](Br)(Br)Br.
What is the InChIKey of 5-tribromosilylpentyl prop-2-enoate?
The InChIKey is HLFUOWBBFANKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Br3O2Si/c1-2-8(12)13-6-4-3-5-7-14(9,10)11/h2H,1,3-7H2.
What are the key properties of 5-tribromosilylpentyl prop-2-enoate?
5-tribromosilylpentyl prop-2-enoate has a molecular weight of 408.99 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tribromosilylpentyl prop-2-enoate is sourced from PubChem (CID 156681433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).