4-bromobutyl(trimethyl)silane

C7H17BrSi — CID 12845802

IUPAC4-bromobutyl(trimethyl)silane
SMILESC[Si](C)(C)CCCCBr
InChIInChI=1S/C7H17BrSi/c1-9(2,3)7-5-4-6-8/h4-7H2,1-3H3
InChIKeyKMDNFQDOWXJWKY-UHFFFAOYSA-N
MW209.20 g/mol
LogP3.50
Rot. Bonds4

About 4-bromobutyl(trimethyl)silane

4-bromobutyl(trimethyl)silane (PubChem CID 12845802) has the molecular formula C7H17BrSi and a molecular weight of 209.20 g/mol. Its IUPAC name is 4-bromobutyl(trimethyl)silane.

Molecular Properties

Compound Name4-bromobutyl(trimethyl)silane
PubChem CID12845802
Molecular FormulaC7H17BrSi
Molecular Weight209.20 g/mol
Exact Mass208.03
IUPAC Name4-bromobutyl(trimethyl)silane
SMILESC[Si](C)(C)CCCCBr
InChIInChI=1S/C7H17BrSi/c1-9(2,3)7-5-4-6-8/h4-7H2,1-3H3
InChIKeyKMDNFQDOWXJWKY-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromobutyl(trimethyl)silane?
The IUPAC name of 4-bromobutyl(trimethyl)silane (CID 12845802) is 4-bromobutyl(trimethyl)silane.
What is the SMILES notation for 4-bromobutyl(trimethyl)silane?
The canonical SMILES for 4-bromobutyl(trimethyl)silane is C[Si](C)(C)CCCCBr.
What is the InChIKey of 4-bromobutyl(trimethyl)silane?
The InChIKey is KMDNFQDOWXJWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17BrSi/c1-9(2,3)7-5-4-6-8/h4-7H2,1-3H3.
What are the key properties of 4-bromobutyl(trimethyl)silane?
4-bromobutyl(trimethyl)silane has a molecular weight of 209.20 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutyl(trimethyl)silane is sourced from PubChem (CID 12845802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).