4-bromobutyl-dichloro-methylsilane

C5H11BrCl2Si — CID 71652428

IUPAC4-bromobutyl-dichloro-methylsilane
SMILESC[Si](Cl)(Cl)CCCCBr
InChIInChI=1S/C5H11BrCl2Si/c1-9(7,8)5-3-2-4-6/h2-5H2,1H3
InChIKeyBKKVKPCEIXBEHI-UHFFFAOYSA-N
MW250.04 g/mol
LogP3.71
Rot. Bonds4

About 4-bromobutyl-dichloro-methylsilane

4-bromobutyl-dichloro-methylsilane (PubChem CID 71652428) has the molecular formula C5H11BrCl2Si and a molecular weight of 250.04 g/mol. Its IUPAC name is 4-bromobutyl-dichloro-methylsilane.

Molecular Properties

Compound Name4-bromobutyl-dichloro-methylsilane
PubChem CID71652428
Molecular FormulaC5H11BrCl2Si
Molecular Weight250.04 g/mol
Exact Mass247.92
IUPAC Name4-bromobutyl-dichloro-methylsilane
SMILESC[Si](Cl)(Cl)CCCCBr
InChIInChI=1S/C5H11BrCl2Si/c1-9(7,8)5-3-2-4-6/h2-5H2,1H3
InChIKeyBKKVKPCEIXBEHI-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 53.71
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromobutyl-dichloro-methylsilane?
The IUPAC name of 4-bromobutyl-dichloro-methylsilane (CID 71652428) is 4-bromobutyl-dichloro-methylsilane.
What is the SMILES notation for 4-bromobutyl-dichloro-methylsilane?
The canonical SMILES for 4-bromobutyl-dichloro-methylsilane is C[Si](Cl)(Cl)CCCCBr.
What is the InChIKey of 4-bromobutyl-dichloro-methylsilane?
The InChIKey is BKKVKPCEIXBEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrCl2Si/c1-9(7,8)5-3-2-4-6/h2-5H2,1H3.
What are the key properties of 4-bromobutyl-dichloro-methylsilane?
4-bromobutyl-dichloro-methylsilane has a molecular weight of 250.04 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutyl-dichloro-methylsilane is sourced from PubChem (CID 71652428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).