tert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane

C20H32O2Si — CID 16754076

IUPACtert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane
SMILESC#CC(=C=C(C#C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(C)(C)OC
InChIInChI=1S/C20H32O2Si/c1-13-16(19(6,7)21-10)15-17(14-2)20(8,9)22-23(11,12)18(3,4)5/h1-2H,3-12H3
InChIKeyXBWUUVDZVUBGHM-UHFFFAOYSA-N
MW332.56 g/mol
LogP4.93
Rot. Bonds5

About tert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane

tert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane (PubChem CID 16754076) has the molecular formula C20H32O2Si and a molecular weight of 332.56 g/mol. Its IUPAC name is tert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane
PubChem CID16754076
Molecular FormulaC20H32O2Si
Molecular Weight332.56 g/mol
Exact Mass332.22
IUPAC Nametert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane
SMILESC#CC(=C=C(C#C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(C)(C)OC
InChIInChI=1S/C20H32O2Si/c1-13-16(19(6,7)21-10)15-17(14-2)20(8,9)22-23(11,12)18(3,4)5/h1-2H,3-12H3
InChIKeyXBWUUVDZVUBGHM-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-bis(2-methoxypropan-2-yl)hepta-3,4-dien-1,6-diynyl-tri(propan-2-yl)silane
CID 16754078
tert-butyl-(2,3-dimethylbut-3-en-2-yloxy)-dimethylsilane
CID 12568514
magnesium;tert-butyl-dimethyl-(2-methylbut-3-yn-2-yloxy)silane;bromide
CID 56839188
2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-amine
CID 163618882
trimethylsilyl 2-methoxy-2-methylpropanoate
CID 88550853
tert-butyl-dimethyl-pent-4-yn-2-yloxysilane
CID 588048
1-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-3-yn-2-ol
CID 11095976
tert-butyl-dimethyl-(2-phenylbut-3-yn-2-yloxy)silane
CID 24898876
2-[tert-butyl(dimethyl)silyl]oxy-2-trimethylsilylpropanenitrile
CID 14643781
2-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanoic acid
CID 18962902
(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol
CID 20848710
2-methoxybut-3-yn-2-yl(trimethyl)silane
CID 138983706

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane (CID 16754076) is tert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane is C#CC(=C=C(C#C)C(C)(C)O[Si](C)(C)C(C)(C)C)C(C)(C)OC.
What is the InChIKey of tert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane?
The InChIKey is XBWUUVDZVUBGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2Si/c1-13-16(19(6,7)21-10)15-17(14-2)20(8,9)22-23(11,12)18(3,4)5/h1-2H,3-12H3.
What are the key properties of tert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane?
tert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane has a molecular weight of 332.56 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-ethynyl-5-(2-methoxypropan-2-yl)-2-methylhepta-3,4-dien-6-yn-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 16754076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).