tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane

C26H44O2Si2 — CID 101244819

IUPACtert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](c1ccccc1)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H44O2Si2/c1-13-18-23(28-30(11,12)26(6,7)8)24(21-19-16-15-17-20-21)22(14-2)27-29(9,10)25(3,4)5/h1,14-17,19-20,22-24H,2,18H2,3-12H3/t22-,23-,24+/m1/s1
InChIKeyFIVHRKYPBMJXLB-SMIHKQSGSA-N
MW444.81 g/mol
LogP7.76
Rot. Bonds9

About tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane

tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane (PubChem CID 101244819) has the molecular formula C26H44O2Si2 and a molecular weight of 444.81 g/mol. Its IUPAC name is tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane
PubChem CID101244819
Molecular FormulaC26H44O2Si2
Molecular Weight444.81 g/mol
Exact Mass444.29
IUPAC Nametert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane
SMILESC#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](c1ccccc1)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H44O2Si2/c1-13-18-23(28-30(11,12)26(6,7)8)24(21-19-16-15-17-20-21)22(14-2)27-29(9,10)25(3,4)5/h1,14-17,19-20,22-24H,2,18H2,3-12H3/t22-,23-,24+/m1/s1
InChIKeyFIVHRKYPBMJXLB-SMIHKQSGSA-N
XLogP7.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.81
LogP ≤ 57.76
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

[(1R,2R,3S)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-tert-butyl-dimethylsilane
CID 139993023
(3R,4S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-N,N-diethyloct-1-en-7-yn-4-amine
CID 70678065
tert-butyl-dimethyl-[(3S)-4-phenylpent-1-en-3-yl]oxysilane
CID 154488375
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hept-6-yn-1-ol
CID 91868233
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynenitrile
CID 87487343
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynal
CID 10895167
[(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hept-6-ynyl] 4-methylbenzenesulfonate
CID 101062938
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-en-2-amine
CID 66693822
tert-butyl-dimethyl-[(1R,2E)-1-phenylpenta-2,4-dienoxy]silane
CID 100919695
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
CID 139249096

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane (CID 101244819) is tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane is C#CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](c1ccccc1)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane?
The InChIKey is FIVHRKYPBMJXLB-SMIHKQSGSA-N. The full InChI is InChI=1S/C26H44O2Si2/c1-13-18-23(28-30(11,12)26(6,7)8)24(21-19-16-15-17-20-21)22(14-2)27-29(9,10)25(3,4)5/h1,14-17,19-20,22-24H,2,18H2,3-12H3/t22-,23-,24+/m1/s1.
What are the key properties of tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane?
tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane has a molecular weight of 444.81 g/mol, XLogP of 7.76, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-phenylhex-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 101244819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).