tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane

C27H40O2Si2 — CID 155932039

IUPACtert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane
SMILESC#C[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40O2Si2/c1-10-23(21-22-28-30(8,9)26(2,3)4)29-31(27(5,6)7,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h1,11-20,23H,21-22H2,2-9H3/t23-/m1/s1
InChIKeyLETJIOSBQQNIDS-HSZRJFAPSA-N
MW452.79 g/mol
LogP5.98
Rot. Bonds8

About tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane

tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane (PubChem CID 155932039) has the molecular formula C27H40O2Si2 and a molecular weight of 452.79 g/mol. Its IUPAC name is tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane
PubChem CID155932039
Molecular FormulaC27H40O2Si2
Molecular Weight452.79 g/mol
Exact Mass452.26
IUPAC Nametert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane
SMILESC#C[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40O2Si2/c1-10-23(21-22-28-30(8,9)26(2,3)4)29-31(27(5,6)7,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h1,11-20,23H,21-22H2,2-9H3/t23-/m1/s1
InChIKeyLETJIOSBQQNIDS-HSZRJFAPSA-N
XLogP5.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.79
LogP ≤ 55.98
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

(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol
CID 11342574
tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
CID 135013582
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane
CID 134872566
tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane
CID 122215628
tert-butyl-[(E,3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodohex-4-en-3-yl]oxy-diphenylsilane
CID 56931226
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane
CID 91526312
tert-butyl-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-trimethylsilyloxyhex-5-ynoxy]-diphenylsilane
CID 45258202
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368
tert-butyl-diphenyl-[(3R,5R)-3-triethylsilyloxy-5-tri(propan-2-yl)silyloxyhept-6-ynoxy]silane
CID 11331241
(2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol
CID 99772953
tert-butyl-[(E,3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1-pyridin-4-ylpent-1-en-3-yl]oxy-diphenylsilane
CID 68947226

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane (CID 155932039) is tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane is C#C[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane?
The InChIKey is LETJIOSBQQNIDS-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H40O2Si2/c1-10-23(21-22-28-30(8,9)26(2,3)4)29-31(27(5,6)7,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h1,11-20,23H,21-22H2,2-9H3/t23-/m1/s1.
What are the key properties of tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane?
tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane has a molecular weight of 452.79 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 155932039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).