tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane

C13H24OSi — CID 76533361

IUPACtert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane
SMILESC#CCCC(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24OSi/c1-8-10-11-12(9-2)14-15(6,7)13(3,4)5/h1,9,12H,2,10-11H2,3-7H3
InChIKeyDJRZLOUTSRYZOF-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.98
Rot. Bonds5

About tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane

tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane (PubChem CID 76533361) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane
PubChem CID76533361
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Nametert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane
SMILESC#CCCC(C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24OSi/c1-8-10-11-12(9-2)14-15(6,7)13(3,4)5/h1,9,12H,2,10-11H2,3-7H3
InChIKeyDJRZLOUTSRYZOF-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.98
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

tert-butyl-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane
CID 9885624
Silane, (1,1-dimethylethyl)(1-ethenylbutoxy)dimethyl-
CID 11206678
Hex-1-en-3-yloxy(trimethyl)silane
CID 262863
2,4-Dimethylpenta-1,4-dien-3-yloxy-dimethyl-prop-2-enylsilane
CID 10889176
Triethyl(hex-1-en-3-yloxy)silane
CID 85834149
tert-Butyl-dimethyl-((S)-1-vinyl-hex-4-ynyloxy)-silane
CID 86661510
Tert-butyl-(4,4-dimethylhept-6-en-1-yn-3-yloxy)-dimethylsilane
CID 10944928
Tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
CID 11173984
(s)-t-Butyl(hex-5-en-2-yloxy)dimethylsilane
CID 11816732
Tert-butyl-dimethyl-(2-methyloct-2-en-7-yn-4-yloxy)silane
CID 13789160
tert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane
CID 44550536
tert-butyl-[(2R)-hex-5-en-2-yl]oxy-dimethylsilane
CID 44604112

Frequently Asked Questions

What is the IUPAC name of tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane?
The IUPAC name of tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane (CID 76533361) is tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane.
What is the SMILES notation for tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane?
The canonical SMILES for tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane is C#CCCC(C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane?
The InChIKey is DJRZLOUTSRYZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-8-10-11-12(9-2)14-15(6,7)13(3,4)5/h1,9,12H,2,10-11H2,3-7H3.
What are the key properties of tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane?
tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hept-1-en-6-yn-3-yloxy-dimethylsilane is sourced from PubChem (CID 76533361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).