but-3-enyl-ditert-butyl-chlorosilane

C12H25ClSi — CID 22228869

IUPACbut-3-enyl-ditert-butyl-chlorosilane
SMILESC=CCC[Si](Cl)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H25ClSi/c1-8-9-10-14(13,11(2,3)4)12(5,6)7/h8H,1,9-10H2,2-7H3
InChIKeyPUOVSGVQLLONAS-UHFFFAOYSA-N
MW232.87 g/mol
LogP5.35
Rot. Bonds3

About but-3-enyl-ditert-butyl-chlorosilane

but-3-enyl-ditert-butyl-chlorosilane (PubChem CID 22228869) has the molecular formula C12H25ClSi and a molecular weight of 232.87 g/mol. Its IUPAC name is but-3-enyl-ditert-butyl-chlorosilane.

Molecular Properties

Compound Namebut-3-enyl-ditert-butyl-chlorosilane
PubChem CID22228869
Molecular FormulaC12H25ClSi
Molecular Weight232.87 g/mol
Exact Mass232.14
IUPAC Namebut-3-enyl-ditert-butyl-chlorosilane
SMILESC=CCC[Si](Cl)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H25ClSi/c1-8-9-10-14(13,11(2,3)4)12(5,6)7/h8H,1,9-10H2,2-7H3
InChIKeyPUOVSGVQLLONAS-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.87
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-3-enyl-ditert-butyl-chlorosilane?
The IUPAC name of but-3-enyl-ditert-butyl-chlorosilane (CID 22228869) is but-3-enyl-ditert-butyl-chlorosilane.
What is the SMILES notation for but-3-enyl-ditert-butyl-chlorosilane?
The canonical SMILES for but-3-enyl-ditert-butyl-chlorosilane is C=CCC[Si](Cl)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of but-3-enyl-ditert-butyl-chlorosilane?
The InChIKey is PUOVSGVQLLONAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClSi/c1-8-9-10-14(13,11(2,3)4)12(5,6)7/h8H,1,9-10H2,2-7H3.
What are the key properties of but-3-enyl-ditert-butyl-chlorosilane?
but-3-enyl-ditert-butyl-chlorosilane has a molecular weight of 232.87 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-ditert-butyl-chlorosilane is sourced from PubChem (CID 22228869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).