4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane

C12H25BrOSi — CID 71561335

IUPAC4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane
SMILESC=C(CBr)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25BrOSi/c1-11(10-13)8-7-9-14-15(5,6)12(2,3)4/h1,7-10H2,2-6H3
InChIKeyPIZQNRSTPXBILQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.74
Rot. Bonds6

About 4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane

4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane (PubChem CID 71561335) has the molecular formula C12H25BrOSi and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane
PubChem CID71561335
Molecular FormulaC12H25BrOSi
Molecular Weight293.32 g/mol
Exact Mass292.09
IUPAC Name4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane
SMILESC=C(CBr)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25BrOSi/c1-11(10-13)8-7-9-14-15(5,6)12(2,3)4/h1,7-10H2,2-6H3
InChIKeyPIZQNRSTPXBILQ-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane?
The IUPAC name of 4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane (CID 71561335) is 4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane is C=C(CBr)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane?
The InChIKey is PIZQNRSTPXBILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrOSi/c1-11(10-13)8-7-9-14-15(5,6)12(2,3)4/h1,7-10H2,2-6H3.
What are the key properties of 4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane?
4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane has a molecular weight of 293.32 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)pent-4-enoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 71561335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).