tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane

C26H48O3Si2 — CID 11113361

IUPACtert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane
SMILESC=C[C@@H](C[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C26H48O3Si2/c1-12-23(27-21-22-16-14-13-15-17-22)20-24(29-31(10,11)26(5,6)7)18-19-28-30(8,9)25(2,3)4/h12-17,23-24H,1,18-21H2,2-11H3/t23-,24-/m0/s1
InChIKeyDPPOAMRHKHFCFR-ZEQRLZLVSA-N
MW464.84 g/mol
LogP7.95
Rot. Bonds12

About tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane

tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane (PubChem CID 11113361) has the molecular formula C26H48O3Si2 and a molecular weight of 464.84 g/mol. Its IUPAC name is tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane
PubChem CID11113361
Molecular FormulaC26H48O3Si2
Molecular Weight464.84 g/mol
Exact Mass464.31
IUPAC Nametert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane
SMILESC=C[C@@H](C[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C26H48O3Si2/c1-12-23(27-21-22-16-14-13-15-17-22)20-24(29-31(10,11)26(5,6)7)18-19-28-30(8,9)25(2,3)4/h12-17,23-24H,1,18-21H2,2-11H3/t23-,24-/m0/s1
InChIKeyDPPOAMRHKHFCFR-ZEQRLZLVSA-N
XLogP7.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.84
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
(3S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyoct-1-en-3-ol
CID 46910423
(2S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methyl-4-phenylmethoxyhept-6-en-2-ol
CID 24749437
(3S,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-7-phenylmethoxyheptane-3,5-diol
CID 134970527
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal
CID 11983684
[(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium
CID 11204825
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2-phenylmethoxypentane-1,3-diol
CID 100966683
2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol
CID 18790481

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane (CID 11113361) is tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane is C=C[C@@H](C[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCc1ccccc1.
What is the InChIKey of tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane?
The InChIKey is DPPOAMRHKHFCFR-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H48O3Si2/c1-12-23(27-21-22-16-14-13-15-17-22)20-24(29-31(10,11)26(5,6)7)18-19-28-30(8,9)25(2,3)4/h12-17,23-24H,1,18-21H2,2-11H3/t23-,24-/m0/s1.
What are the key properties of tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane?
tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane has a molecular weight of 464.84 g/mol, XLogP of 7.95, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhept-6-enoxy]-dimethylsilane is sourced from PubChem (CID 11113361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).