19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate

C25H49BrO2Si — CID 174106044

IUPAC19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate
SMILESCC=CC(=O)OCCCCCCCCCCCCCCCCCCC[Si](C)(C)Br
InChIInChI=1S/C25H49BrO2Si/c1-4-22-25(27)28-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-29(2,3)26/h4,22H,5-21,23-24H2,1-3H3
InChIKeyYHSXPRMOWCYRNL-UHFFFAOYSA-N
MW489.66 g/mol
LogP9.34
Rot. Bonds21

About 19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate

19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate (PubChem CID 174106044) has the molecular formula C25H49BrO2Si and a molecular weight of 489.66 g/mol. Its IUPAC name is 19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate.

Molecular Properties

Compound Name19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate
PubChem CID174106044
Molecular FormulaC25H49BrO2Si
Molecular Weight489.66 g/mol
Exact Mass488.27
IUPAC Name19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate
SMILESCC=CC(=O)OCCCCCCCCCCCCCCCCCCC[Si](C)(C)Br
InChIInChI=1S/C25H49BrO2Si/c1-4-22-25(27)28-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-29(2,3)26/h4,22H,5-21,23-24H2,1-3H3
InChIKeyYHSXPRMOWCYRNL-UHFFFAOYSA-N
XLogP9.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.66
LogP ≤ 59.34
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

5-[chloro(dimethyl)silyl]pentyl but-2-enoate
CID 174106073
4-[fluoro(dimethyl)silyl]butyl but-2-enoate
CID 174106106
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
7-trichlorosilylheptyl but-2-enoate
CID 174106010
13-trichlorosilyltridecyl but-2-enoate
CID 174106076
9-trichlorosilylnonyl but-2-enoate
CID 174105776
14-trichlorosilyltetradecyl but-2-enoate
CID 174106042
8-trichlorosilyloctyl but-2-enoate
CID 174105922
4-trifluorosilylbutyl but-2-enoate
CID 174106149
dodecyl (E)-but-2-enoate
CID 5462914
9-tri(propan-2-yloxy)silylnonyl but-2-enoate
CID 174208897
8-[tris(2,2-dimethylpropoxy)silyl]octyl but-2-enoate
CID 155797348

Frequently Asked Questions

What is the IUPAC name of 19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate?
The IUPAC name of 19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate (CID 174106044) is 19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate.
What is the SMILES notation for 19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate?
The canonical SMILES for 19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate is CC=CC(=O)OCCCCCCCCCCCCCCCCCCC[Si](C)(C)Br.
What is the InChIKey of 19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate?
The InChIKey is YHSXPRMOWCYRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H49BrO2Si/c1-4-22-25(27)28-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-29(2,3)26/h4,22H,5-21,23-24H2,1-3H3.
What are the key properties of 19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate?
19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate has a molecular weight of 489.66 g/mol, XLogP of 9.34, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate is sourced from PubChem (CID 174106044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).