tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane

C31H68O2Si2Sn — CID 11700228

IUPACtert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane
SMILESCCCC[Sn](/C=C/[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C19H41O2Si2.3C4H9.Sn/c1-13-16(2)17(21-23(11,12)19(6,7)8)14-15-20-22(9,10)18(3,4)5;3*1-3-4-2;/h1,13,16-17H,14-15H2,2-12H3;3*1,3-4H2,2H3;/t16-,17+;;;;/m1..../s1
InChIKeyKEJGJDRPYLUPDH-PNNYBRIFSA-N
MW647.77 g/mol
LogP11.37
Rot. Bonds18

About tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane

tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane (PubChem CID 11700228) has the molecular formula C31H68O2Si2Sn and a molecular weight of 647.77 g/mol. Its IUPAC name is tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane
PubChem CID11700228
Molecular FormulaC31H68O2Si2Sn
Molecular Weight647.77 g/mol
Exact Mass648.38
IUPAC Nametert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane
SMILESCCCC[Sn](/C=C/[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC
InChIInChI=1S/C19H41O2Si2.3C4H9.Sn/c1-13-16(2)17(21-23(11,12)19(6,7)8)14-15-20-22(9,10)18(3,4)5;3*1-3-4-2;/h1,13,16-17H,14-15H2,2-12H3;3*1,3-4H2,2H3;/t16-,17+;;;;/m1..../s1
InChIKeyKEJGJDRPYLUPDH-PNNYBRIFSA-N
XLogP11.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.77
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R,5R)-2,4-bis(tert-Butyldimethylsilyloxy)-5-methylhept-6-ene
CID 24756074
tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
CID 151528866
Silane, dimethyl(pent-4-en-2-yloxy)isohexyloxy-
CID 91698385
Silane, dimethyl(dimethyl(but-3-enyloxy)silyloxy)isohexyloxy-
CID 91736917
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 11417041
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol
CID 57327520
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 102153641
triethyl-[(3S)-5-methyl-2-trimethylsilyloxyhex-1-en-3-yl]oxysilane
CID 134846128
[(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid
CID 134887511
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoxy]-dimethylsilane
CID 134940445
(E,2S,3S,4S)-2,4-dimethyl-6-tributylstannyl-3-trimethylsilyloxyhex-5-en-1-ol
CID 138969958
tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane
CID 138969960

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane (CID 11700228) is tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane is CCCC[Sn](/C=C/[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(CCCC)CCCC.
What is the InChIKey of tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane?
The InChIKey is KEJGJDRPYLUPDH-PNNYBRIFSA-N. The full InChI is InChI=1S/C19H41O2Si2.3C4H9.Sn/c1-13-16(2)17(21-23(11,12)19(6,7)8)14-15-20-22(9,10)18(3,4)5;3*1-3-4-2;/h1,13,16-17H,14-15H2,2-12H3;3*1,3-4H2,2H3;/t16-,17+;;;;/m1..../s1.
What are the key properties of tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane?
tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane has a molecular weight of 647.77 g/mol, XLogP of 11.37, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 11700228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).