tert-butyl-dimethyl-prop-1-ynylsilane

C9H18Si — CID 11327211

IUPACtert-butyl-dimethyl-prop-1-ynylsilane
SMILESCC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H18Si/c1-7-8-10(5,6)9(2,3)4/h1-6H3
InChIKeyZVVPBKWLXJMYSH-UHFFFAOYSA-N
MW154.33 g/mol
LogP3.06
Rot. Bonds

About tert-butyl-dimethyl-prop-1-ynylsilane

tert-butyl-dimethyl-prop-1-ynylsilane (PubChem CID 11327211) has the molecular formula C9H18Si and a molecular weight of 154.33 g/mol. Its IUPAC name is tert-butyl-dimethyl-prop-1-ynylsilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-prop-1-ynylsilane
PubChem CID11327211
Molecular FormulaC9H18Si
Molecular Weight154.33 g/mol
Exact Mass154.12
IUPAC Nametert-butyl-dimethyl-prop-1-ynylsilane
SMILESCC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H18Si/c1-7-8-10(5,6)9(2,3)4/h1-6H3
InChIKeyZVVPBKWLXJMYSH-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-prop-1-ynylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-prop-1-ynylsilane?
The IUPAC name of tert-butyl-dimethyl-prop-1-ynylsilane (CID 11327211) is tert-butyl-dimethyl-prop-1-ynylsilane.
What is the SMILES notation for tert-butyl-dimethyl-prop-1-ynylsilane?
The canonical SMILES for tert-butyl-dimethyl-prop-1-ynylsilane is CC#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-prop-1-ynylsilane?
The InChIKey is ZVVPBKWLXJMYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Si/c1-7-8-10(5,6)9(2,3)4/h1-6H3.
What are the key properties of tert-butyl-dimethyl-prop-1-ynylsilane?
tert-butyl-dimethyl-prop-1-ynylsilane has a molecular weight of 154.33 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-prop-1-ynylsilane is sourced from PubChem (CID 11327211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).