tert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane

C14H26OSi — CID 25241849

IUPACtert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane
SMILESC=CC(CCC#CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-8-10-11-12-13(9-2)15-16(6,7)14(3,4)5/h9,13H,2,11-12H2,1,3-7H3
InChIKeyZFTSWDFOFDCNJO-UHFFFAOYSA-N
MW238.45 g/mol
LogP4.37
Rot. Bonds5

About tert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane

tert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane (PubChem CID 25241849) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane
PubChem CID25241849
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane
SMILESC=CC(CCC#CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-8-10-11-12-13(9-2)15-16(6,7)14(3,4)5/h9,13H,2,11-12H2,1,3-7H3
InChIKeyZFTSWDFOFDCNJO-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.37
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane?
The IUPAC name of tert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane (CID 25241849) is tert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane.
What is the SMILES notation for tert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane?
The canonical SMILES for tert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane is C=CC(CCC#CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane?
The InChIKey is ZFTSWDFOFDCNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OSi/c1-8-10-11-12-13(9-2)15-16(6,7)14(3,4)5/h9,13H,2,11-12H2,1,3-7H3.
What are the key properties of tert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane?
tert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane has a molecular weight of 238.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-oct-1-en-6-yn-3-yloxysilane is sourced from PubChem (CID 25241849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).