tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane

C21H46O2Si2 — CID 66552565

IUPACtert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane
SMILESC=C[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O2Si2/c1-14-21(9,17-23-25(12,13)20(6,7)8)18(2)15-16-22-24(10,11)19(3,4)5/h14,18H,1,15-17H2,2-13H3/t18-,21-/m1/s1
InChIKeyLLXULWMRFFYEPE-WIYYLYMNSA-N
MW386.77 g/mol
LogP7.25
Rot. Bonds9

About tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane

tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane (PubChem CID 66552565) has the molecular formula C21H46O2Si2 and a molecular weight of 386.77 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane
PubChem CID66552565
Molecular FormulaC21H46O2Si2
Molecular Weight386.77 g/mol
Exact Mass386.30
IUPAC Nametert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane
SMILESC=C[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O2Si2/c1-14-21(9,17-23-25(12,13)20(6,7)8)18(2)15-16-22-24(10,11)19(3,4)5/h14,18H,1,15-17H2,2-13H3/t18-,21-/m1/s1
InChIKeyLLXULWMRFFYEPE-WIYYLYMNSA-N
XLogP7.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.77
LogP ≤ 57.25
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

(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
CID 121015221
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
tert-butyl-dimethyl-(3-methylhept-5-enoxy)silane
CID 57087962
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
[(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane
CID 46218527
tert-butyl-(6-ethenoxyhexoxy)-dimethylsilane
CID 71372427
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pentanal
CID 88571352
(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
CID 135045339
[(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate
CID 145359169

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane (CID 66552565) is tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane is C=C[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane?
The InChIKey is LLXULWMRFFYEPE-WIYYLYMNSA-N. The full InChI is InChI=1S/C21H46O2Si2/c1-14-21(9,17-23-25(12,13)20(6,7)8)18(2)15-16-22-24(10,11)19(3,4)5/h14,18H,1,15-17H2,2-13H3/t18-,21-/m1/s1.
What are the key properties of tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane?
tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane has a molecular weight of 386.77 g/mol, XLogP of 7.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane is sourced from PubChem (CID 66552565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).