tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane

C17H32O2Si — CID 12965687

IUPACtert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
SMILESC=CCC(C)(C)C(C#COCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-10-13-17(6,7)15(12-14-18-11-2)19-20(8,9)16(3,4)5/h10,15H,1,11,13H2,2-9H3
InChIKeyAVNSIIIYZJKQEQ-UHFFFAOYSA-N
MW296.53 g/mol
LogP4.98
Rot. Bonds6

About tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane

tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane (PubChem CID 12965687) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
PubChem CID12965687
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Nametert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
SMILESC=CCC(C)(C)C(C#COCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-10-13-17(6,7)15(12-14-18-11-2)19-20(8,9)16(3,4)5/h10,15H,1,11,13H2,2-9H3
InChIKeyAVNSIIIYZJKQEQ-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(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
Tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 11782316
Tert-butyl-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane
CID 15317059
tert-butyl-[(4S)-3,3-dimethyloct-7-en-1-yn-4-yl]oxy-dimethylsilane
CID 53392206
7,7-Dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal
CID 86086414
Tert-butyl-(4,4-dimethylhept-1-en-6-yn-3-yloxy)-dimethylsilane
CID 101111972
Tert-butyl-(4,4-dimethyl-1-trimethylgermylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 102240613
tert-butyl-[(3S)-9,9-dimethyl-8-tri(propan-2-yl)silyloxydodec-11-en-1,6-diyn-3-yl]oxy-dimethylsilane
CID 134865047
(5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol
CID 135019970
tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane
CID 135042365
Tert-butyl-dimethyl-(1-trimethylgermylhept-6-en-1-yn-3-yloxy)silane
CID 135078607

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane (CID 12965687) is tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane is C=CCC(C)(C)C(C#COCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane?
The InChIKey is AVNSIIIYZJKQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-10-13-17(6,7)15(12-14-18-11-2)19-20(8,9)16(3,4)5/h10,15H,1,11,13H2,2-9H3.
What are the key properties of tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane?
tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane has a molecular weight of 296.53 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane is sourced from PubChem (CID 12965687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).