tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane

C24H50O2Si2 — CID 11102001

IUPACtert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane
SMILESC=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C)[C@@H](C=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O2Si2/c1-15-21(17-25-27(11,12)23(5,6)7)19(3)20(4)22(16-2)18-26-28(13,14)24(8,9)10/h15-16,19-22H,1-2,17-18H2,3-14H3/t19-,20+,21+,22-
InChIKeyGCRVODIPFDJWRT-ZDNVTZCJSA-N
MW426.83 g/mol
LogP7.91
Rot. Bonds11

About tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane

tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane (PubChem CID 11102001) has the molecular formula C24H50O2Si2 and a molecular weight of 426.83 g/mol. Its IUPAC name is tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane
PubChem CID11102001
Molecular FormulaC24H50O2Si2
Molecular Weight426.83 g/mol
Exact Mass426.33
IUPAC Nametert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane
SMILESC=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C)[C@@H](C=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O2Si2/c1-15-21(17-25-27(11,12)23(5,6)7)19(3)20(4)22(16-2)18-26-28(13,14)24(8,9)10/h15-16,19-22H,1-2,17-18H2,3-14H3/t19-,20+,21+,22-
InChIKeyGCRVODIPFDJWRT-ZDNVTZCJSA-N
XLogP7.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.83
LogP ≤ 57.91
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'}

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Related Compounds

tert-butyl-(2-ethylbut-3-enoxy)-dimethylsilane
CID 86646162
tert-butyl-[(2S)-2-fluoropropoxy]-dimethylsilane
CID 141238974
[(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hepta-1,6-dien-4-yl] methanesulfonate
CID 11175040
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 76778047
tert-butyl-[3-[(2R,3R)-3-ethenyloxiran-2-yl]-2-methylpropoxy]-dimethylsilane
CID 54455655
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816
tert-butyl-dimethyl-[(2S,4S,6S)-2,4,6,8-tetramethylnonoxy]silane
CID 57336860
tert-butyl-dimethyl-[(E)-2-methylpent-3-enoxy]silane
CID 121002381

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane (CID 11102001) is tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane is C=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H](C)[C@@H](C=C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane?
The InChIKey is GCRVODIPFDJWRT-ZDNVTZCJSA-N. The full InChI is InChI=1S/C24H50O2Si2/c1-15-21(17-25-27(11,12)23(5,6)7)19(3)20(4)22(16-2)18-26-28(13,14)24(8,9)10/h15-16,19-22H,1-2,17-18H2,3-14H3/t19-,20+,21+,22-.
What are the key properties of tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane?
tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane has a molecular weight of 426.83 g/mol, XLogP of 7.91, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane is sourced from PubChem (CID 11102001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).