tert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane

C24H50O2Si2 — CID 10550393

IUPACtert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane
SMILESC=C(/C=C(\C)[C@@H](CC)O[Si](C)(C)C(C)(C)C)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O2Si2/c1-15-22(26-28(13,14)24(8,9)10)21(4)17-19(2)16-20(3)18-25-27(11,12)23(5,6)7/h17,20,22H,2,15-16,18H2,1,3-14H3/b21-17+/t20-,22+/m0/s1
InChIKeyGMLDKJHRAHEMOJ-NKQZFDIBSA-N
MW426.83 g/mol
LogP8.34
Rot. Bonds10

About tert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane

tert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane (PubChem CID 10550393) has the molecular formula C24H50O2Si2 and a molecular weight of 426.83 g/mol. Its IUPAC name is tert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane
PubChem CID10550393
Molecular FormulaC24H50O2Si2
Molecular Weight426.83 g/mol
Exact Mass426.33
IUPAC Nametert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane
SMILESC=C(/C=C(\C)[C@@H](CC)O[Si](C)(C)C(C)(C)C)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H50O2Si2/c1-15-22(26-28(13,14)24(8,9)10)21(4)17-19(2)16-20(3)18-25-27(11,12)23(5,6)7/h17,20,22H,2,15-16,18H2,1,3-14H3/b21-17+/t20-,22+/m0/s1
InChIKeyGMLDKJHRAHEMOJ-NKQZFDIBSA-N
XLogP8.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.83
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)isohexyloxy-
CID 91698238
tert-butyl-[(1R,4S)-4-ethenyl-3-trimethylsilylcyclopent-2-en-1-yl]oxy-dimethylsilane
CID 11358411
tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane
CID 11430610
tert-butyl-dimethyl-[(2E,4R,5R,6E,8E,11E)-3,5,7,11-tetramethyl-12-tributylstannyldodeca-2,6,8,11-tetraen-4-yl]oxysilane
CID 11534697
[(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane
CID 11731540
tert-butyl-dimethyl-[(5E)-7-triethylsilyloxyocta-5,7-dienoxy]silane
CID 13067723
(3S,4Z,6E,8R,9R,10E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-8,10,13-trimethyltetradeca-4,6,10-trien-1-ol
CID 60153235
tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane
CID 102384622
tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane
CID 132938840
tert-butyl-[(2S,3S,4E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhepta-4,6-dienoxy]-dimethylsilane
CID 134950605
(4S,7S)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 134999300
(4S,7R)-4-(2-methylpropyl)-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine
CID 134999409

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane (CID 10550393) is tert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane is C=C(/C=C(\C)[C@@H](CC)O[Si](C)(C)C(C)(C)C)C[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane?
The InChIKey is GMLDKJHRAHEMOJ-NKQZFDIBSA-N. The full InChI is InChI=1S/C24H50O2Si2/c1-15-22(26-28(13,14)24(8,9)10)21(4)17-19(2)16-20(3)18-25-27(11,12)23(5,6)7/h17,20,22H,2,15-16,18H2,1,3-14H3/b21-17+/t20-,22+/m0/s1.
What are the key properties of tert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane?
tert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane has a molecular weight of 426.83 g/mol, XLogP of 8.34, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4-methylidenenon-5-enoxy]-dimethylsilane is sourced from PubChem (CID 10550393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).