tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane

C20H40O2Si2 — CID 15422449

IUPACtert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O2Si2/c1-13-15-16-18(22-24(11,12)20(6,7)8)17(14-2)21-23(9,10)19(3,4)5/h2,13,17-18H,1,15-16H2,3-12H3/t17-,18-/m0/s1
InChIKeyILBYRYWBEVLTEY-ROUUACIJSA-N
MW368.71 g/mol
LogP6.37
Rot. Bonds8

About tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane

tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane (PubChem CID 15422449) has the molecular formula C20H40O2Si2 and a molecular weight of 368.71 g/mol. Its IUPAC name is tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane
PubChem CID15422449
Molecular FormulaC20H40O2Si2
Molecular Weight368.71 g/mol
Exact Mass368.26
IUPAC Nametert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O2Si2/c1-13-15-16-18(22-24(11,12)20(6,7)8)17(14-2)21-23(9,10)19(3,4)5/h2,13,17-18H,1,15-16H2,3-12H3/t17-,18-/m0/s1
InChIKeyILBYRYWBEVLTEY-ROUUACIJSA-N
XLogP6.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.71
LogP ≤ 56.37
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-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane
CID 9885624
tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10643656
tert-butyl-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10667634
Tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
CID 11173984
[5,11-Bis[[tert-butyl(dimethyl)silyl]oxy]-8-methylundeca-6,7-dien-1-ynyl]-trimethylsilane
CID 11990191
tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane
CID 15416504
tert-butyl-dimethyl-[(3R)-5-methylideneoct-7-en-1-yn-3-yl]oxysilane
CID 134842929
tert-butyl-[(3S)-9,9-dimethyl-8-tri(propan-2-yl)silyloxydodec-11-en-1,6-diyn-3-yl]oxy-dimethylsilane
CID 134865047
triethyl-[(2S,3R)-2-ethynyl-3-triethylsilyloxyoct-7-en-2-yl]oxysilane
CID 134865990
tert-butyl-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane
CID 135072554
Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-7-trimethylgermylhept-1-en-6-yn-4-yl]-dimethylsilane
CID 135077532
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-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane (CID 15422449) is tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane is C#C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CCC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane?
The InChIKey is ILBYRYWBEVLTEY-ROUUACIJSA-N. The full InChI is InChI=1S/C20H40O2Si2/c1-13-15-16-18(22-24(11,12)20(6,7)8)17(14-2)21-23(9,10)19(3,4)5/h2,13,17-18H,1,15-16H2,3-12H3/t17-,18-/m0/s1.
What are the key properties of tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane?
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane has a molecular weight of 368.71 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 15422449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).