tert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane

C11H20OSi — CID 86245872

IUPACtert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane
SMILESC#CC(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20OSi/c1-8-10(9-2)12-13(6,7)11(3,4)5/h1,9-10H,2H2,3-7H3
InChIKeyGCJYZPVIKXGRCV-UHFFFAOYSA-N
MW196.37 g/mol
LogP3.20
Rot. Bonds3

About tert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane

tert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane (PubChem CID 86245872) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is tert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane
PubChem CID86245872
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Nametert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane
SMILESC#CC(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20OSi/c1-8-10(9-2)12-13(6,7)11(3,4)5/h1,9-10H,2H2,3-7H3
InChIKeyGCJYZPVIKXGRCV-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

3-Triethylsiloxy-1,4-pentadiene
CID 5018389
[(But-3-en-2-yl)oxy](tert-butyl)dimethylsilane
CID 13307471
Silane, (1,1-dimethylethyl)[(1-ethenyl-2-propenyl)oxy]dimethyl-
CID 356107
1,5-Hexadien-3-ol, tert-butyldimethylsilyl ether
CID 15653177
But-3-en-2-yloxy(triethyl)silane
CID 53888799
Tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane
CID 76533361
tert-Butyl-dimethyl-((S)-1-vinyl-hex-4-ynyloxy)-silane
CID 86661510
Dimethyl-penta-1,4-dien-3-yloxy-prop-2-enylsilane
CID 135084075
[(Penta-1,4-dien-3-yl)oxy]tri(propan-2-yl)silane
CID 15942568
Tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane
CID 57332464
tert-butyl-dimethyl-[(3S)-5-tri(propan-2-yl)silylpent-1-en-4-yn-3-yl]oxysilane
CID 72197942
Tert-butyl-dimethyl-oct-7-en-2-ynoxysilane
CID 86018787

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane?
The IUPAC name of tert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane (CID 86245872) is tert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane.
What is the SMILES notation for tert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane?
The canonical SMILES for tert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane is C#CC(C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane?
The InChIKey is GCJYZPVIKXGRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-8-10(9-2)12-13(6,7)11(3,4)5/h1,9-10H,2H2,3-7H3.
What are the key properties of tert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane?
tert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane has a molecular weight of 196.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-pent-1-en-4-yn-3-yloxysilane is sourced from PubChem (CID 86245872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).