tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane

C12H24Si — CID 86138061

IUPACtert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane
SMILESCC(C)(C)C#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24Si/c1-11(2,3)9-10-13(7,8)12(4,5)6/h1-8H3
InChIKeyKLTPGALCGCQIOM-UHFFFAOYSA-N
MW196.41 g/mol
LogP4.08
Rot. Bonds

About tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane

tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane (PubChem CID 86138061) has the molecular formula C12H24Si and a molecular weight of 196.41 g/mol. Its IUPAC name is tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane
PubChem CID86138061
Molecular FormulaC12H24Si
Molecular Weight196.41 g/mol
Exact Mass196.16
IUPAC Nametert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane
SMILESCC(C)(C)C#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24Si/c1-11(2,3)9-10-13(7,8)12(4,5)6/h1-8H3
InChIKeyKLTPGALCGCQIOM-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.41
LogP ≤ 54.08
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane?
The IUPAC name of tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane (CID 86138061) is tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane?
The canonical SMILES for tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane is CC(C)(C)C#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane?
The InChIKey is KLTPGALCGCQIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Si/c1-11(2,3)9-10-13(7,8)12(4,5)6/h1-8H3.
What are the key properties of tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane?
tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane has a molecular weight of 196.41 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane is sourced from PubChem (CID 86138061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).