tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane

C19H42O2Si2 — CID 11417041

IUPACtert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-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
InChIInChI=1S/C19H42O2Si2/c1-13-16(2)17(21-23(11,12)19(6,7)8)14-15-20-22(9,10)18(3,4)5/h13,16-17H,1,14-15H2,2-12H3/t16-,17+/m1/s1
InChIKeyIUVOEKONRBISFA-SJORKVTESA-N
MW358.72 g/mol
LogP6.61
Rot. Bonds8

About tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane

tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane (PubChem CID 11417041) has the molecular formula C19H42O2Si2 and a molecular weight of 358.72 g/mol. Its IUPAC name is tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
PubChem CID11417041
Molecular FormulaC19H42O2Si2
Molecular Weight358.72 g/mol
Exact Mass358.27
IUPAC Nametert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-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
InChIInChI=1S/C19H42O2Si2/c1-13-16(2)17(21-23(11,12)19(6,7)8)14-15-20-22(9,10)18(3,4)5/h13,16-17H,1,14-15H2,2-12H3/t16-,17+/m1/s1
InChIKeyIUVOEKONRBISFA-SJORKVTESA-N
XLogP6.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.72
LogP ≤ 56.61
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane (CID 11417041) is tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-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.
What is the InChIKey of tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane?
The InChIKey is IUVOEKONRBISFA-SJORKVTESA-N. The full InChI is InChI=1S/C19H42O2Si2/c1-13-16(2)17(21-23(11,12)19(6,7)8)14-15-20-22(9,10)18(3,4)5/h13,16-17H,1,14-15H2,2-12H3/t16-,17+/m1/s1.
What are the key properties of tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane?
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane has a molecular weight of 358.72 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 11417041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).