tert-butyl-dimethyl-pent-4-en-1-ynylsilane

C11H20Si — CID 86059360

IUPACtert-butyl-dimethyl-pent-4-en-1-ynylsilane
SMILESC=CCC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20Si/c1-7-8-9-10-12(5,6)11(2,3)4/h7H,1,8H2,2-6H3
InChIKeyHWWYFVPKSXSPGA-UHFFFAOYSA-N
MW180.37 g/mol
LogP3.61
Rot. Bonds1

About tert-butyl-dimethyl-pent-4-en-1-ynylsilane

tert-butyl-dimethyl-pent-4-en-1-ynylsilane (PubChem CID 86059360) has the molecular formula C11H20Si and a molecular weight of 180.37 g/mol. Its IUPAC name is tert-butyl-dimethyl-pent-4-en-1-ynylsilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-pent-4-en-1-ynylsilane
PubChem CID86059360
Molecular FormulaC11H20Si
Molecular Weight180.37 g/mol
Exact Mass180.13
IUPAC Nametert-butyl-dimethyl-pent-4-en-1-ynylsilane
SMILESC=CCC#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20Si/c1-7-8-9-10-12(5,6)11(2,3)4/h7H,1,8H2,2-6H3
InChIKeyHWWYFVPKSXSPGA-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.37
LogP ≤ 53.61
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-pent-4-en-1-ynylsilane?
The IUPAC name of tert-butyl-dimethyl-pent-4-en-1-ynylsilane (CID 86059360) is tert-butyl-dimethyl-pent-4-en-1-ynylsilane.
What is the SMILES notation for tert-butyl-dimethyl-pent-4-en-1-ynylsilane?
The canonical SMILES for tert-butyl-dimethyl-pent-4-en-1-ynylsilane is C=CCC#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-pent-4-en-1-ynylsilane?
The InChIKey is HWWYFVPKSXSPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Si/c1-7-8-9-10-12(5,6)11(2,3)4/h7H,1,8H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-pent-4-en-1-ynylsilane?
tert-butyl-dimethyl-pent-4-en-1-ynylsilane has a molecular weight of 180.37 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-pent-4-en-1-ynylsilane is sourced from PubChem (CID 86059360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).