tert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane

C32H68O4Si3 — CID 101161522

IUPACtert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane
SMILESCC[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C/C=C\C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C32H68O4Si3/c1-18-27-28(36-39(24(2)3,25(4)5)26(6)7)21-19-20-22-29(35-38(16,17)32(11,12)13)30(34-27)23-33-37(14,15)31(8,9)10/h19-20,24-30H,18,21-23H2,1-17H3/b20-19-/t27-,28-,29+,30+/m1/s1
InChIKeyZCJYNDQHSFOIPC-ZRAUISPYSA-N
MW601.15 g/mol
LogP10.47
Rot. Bonds11

About tert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane (PubChem CID 101161522) has the molecular formula C32H68O4Si3 and a molecular weight of 601.15 g/mol. Its IUPAC name is tert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane
PubChem CID101161522
Molecular FormulaC32H68O4Si3
Molecular Weight601.15 g/mol
Exact Mass600.44
IUPAC Nametert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane
SMILESCC[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C/C=C\C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C32H68O4Si3/c1-18-27-28(36-39(24(2)3,25(4)5)26(6)7)21-19-20-22-29(35-38(16,17)32(11,12)13)30(34-27)23-33-37(14,15)31(8,9)10/h19-20,24-30H,18,21-23H2,1-17H3/b20-19-/t27-,28-,29+,30+/m1/s1
InChIKeyZCJYNDQHSFOIPC-ZRAUISPYSA-N
XLogP10.47
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.15
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane (CID 101161522) is tert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane is CC[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C/C=C\C[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane?
The InChIKey is ZCJYNDQHSFOIPC-ZRAUISPYSA-N. The full InChI is InChI=1S/C32H68O4Si3/c1-18-27-28(36-39(24(2)3,25(4)5)26(6)7)21-19-20-22-29(35-38(16,17)32(11,12)13)30(34-27)23-33-37(14,15)31(8,9)10/h19-20,24-30H,18,21-23H2,1-17H3/b20-19-/t27-,28-,29+,30+/m1/s1.
What are the key properties of tert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane has a molecular weight of 601.15 g/mol, XLogP of 10.47, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3S,5Z,8R,9R)-3-[tert-butyl(dimethyl)silyl]oxy-9-ethyl-8-tri(propan-2-yl)silyloxy-2,3,4,7,8,9-hexahydrooxonin-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 101161522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).