1-[bromo(dimethyl)silyl]prop-2-en-1-one

C5H9BrOSi — CID 175885136

IUPAC1-[bromo(dimethyl)silyl]prop-2-en-1-one
SMILESC=CC(=O)[Si](C)(C)Br
InChIInChI=1S/C5H9BrOSi/c1-4-5(7)8(2,3)6/h4H,1H2,2-3H3
InChIKeyCSLMFSIQEGTXIC-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.88
Rot. Bonds2

About 1-[bromo(dimethyl)silyl]prop-2-en-1-one

1-[bromo(dimethyl)silyl]prop-2-en-1-one (PubChem CID 175885136) has the molecular formula C5H9BrOSi and a molecular weight of 193.12 g/mol. Its IUPAC name is 1-[bromo(dimethyl)silyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[bromo(dimethyl)silyl]prop-2-en-1-one
PubChem CID175885136
Molecular FormulaC5H9BrOSi
Molecular Weight193.12 g/mol
Exact Mass191.96
IUPAC Name1-[bromo(dimethyl)silyl]prop-2-en-1-one
SMILESC=CC(=O)[Si](C)(C)Br
InChIInChI=1S/C5H9BrOSi/c1-4-5(7)8(2,3)6/h4H,1H2,2-3H3
InChIKeyCSLMFSIQEGTXIC-UHFFFAOYSA-N
XLogP1.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 1-[bromo(dimethyl)silyl]prop-2-en-1-one?
The IUPAC name of 1-[bromo(dimethyl)silyl]prop-2-en-1-one (CID 175885136) is 1-[bromo(dimethyl)silyl]prop-2-en-1-one.
What is the SMILES notation for 1-[bromo(dimethyl)silyl]prop-2-en-1-one?
The canonical SMILES for 1-[bromo(dimethyl)silyl]prop-2-en-1-one is C=CC(=O)[Si](C)(C)Br.
What is the InChIKey of 1-[bromo(dimethyl)silyl]prop-2-en-1-one?
The InChIKey is CSLMFSIQEGTXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrOSi/c1-4-5(7)8(2,3)6/h4H,1H2,2-3H3.
What are the key properties of 1-[bromo(dimethyl)silyl]prop-2-en-1-one?
1-[bromo(dimethyl)silyl]prop-2-en-1-one has a molecular weight of 193.12 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(dimethyl)silyl]prop-2-en-1-one is sourced from PubChem (CID 175885136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).