tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane

C34H74O4Si4 — CID 158328802

IUPACtert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane
SMILESCCCC[C@@H]1O[C@@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C34H74O4Si4/c1-21-22-23-27-26(2)29(37-41(17,18)33(6,7)8)31(38-42(19,20)34(9,10)11)30(35-27)28(24-25-39(12,13)14)36-40(15,16)32(3,4)5/h24-31H,21-23H2,1-20H3/b25-24+/t26-,27-,28-,29-,30-,31-/m0/s1
InChIKeyGUAQVIBWCBPGDX-KAARUAENSA-N
MW659.31 g/mol
LogP11.18
Rot. Bonds12

About tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane

tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane (PubChem CID 158328802) has the molecular formula C34H74O4Si4 and a molecular weight of 659.31 g/mol. Its IUPAC name is tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane
PubChem CID158328802
Molecular FormulaC34H74O4Si4
Molecular Weight659.31 g/mol
Exact Mass658.47
IUPAC Nametert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane
SMILESCCCC[C@@H]1O[C@@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C34H74O4Si4/c1-21-22-23-27-26(2)29(37-41(17,18)33(6,7)8)31(38-42(19,20)34(9,10)11)30(35-27)28(24-25-39(12,13)14)36-40(15,16)32(3,4)5/h24-31H,21-23H2,1-20H3/b25-24+/t26-,27-,28-,29-,30-,31-/m0/s1
InChIKeyGUAQVIBWCBPGDX-KAARUAENSA-N
XLogP11.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.31
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane (CID 158328802) is tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane is CCCC[C@@H]1O[C@@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane?
The InChIKey is GUAQVIBWCBPGDX-KAARUAENSA-N. The full InChI is InChI=1S/C34H74O4Si4/c1-21-22-23-27-26(2)29(37-41(17,18)33(6,7)8)31(38-42(19,20)34(9,10)11)30(35-27)28(24-25-39(12,13)14)36-40(15,16)32(3,4)5/h24-31H,21-23H2,1-20H3/b25-24+/t26-,27-,28-,29-,30-,31-/m0/s1.
What are the key properties of tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane?
tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane has a molecular weight of 659.31 g/mol, XLogP of 11.18, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,1S)-1-[(2S,3R,4S,5S,6S)-6-butyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxan-2-yl]-3-trimethylsilylprop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 158328802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).