tert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane

C38H78O4Si3 — CID 11513139

IUPACtert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane
SMILESC/C(=C\CC/C=C/[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[C@H]1[C@H](C)CO[Si](C)(C)C(C)(C)C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C38H78O4Si3/c1-27(2)44(28(3)4,29(5)6)40-25-33(13)23-21-20-22-24-35(42-45(30(7)8,31(9)10)32(11)12)37-36(41-37)34(14)26-39-43(18,19)38(15,16)17/h22-24,27-32,34-37H,20-21,25-26H2,1-19H3/b24-22+,33-23+/t34-,35+,36+,37+/m1/s1
InChIKeyZOVCRCIAXGFTST-XQNFJRLLSA-N
MW683.30 g/mol
LogP12.45
Rot. Bonds20

About tert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane

tert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane (PubChem CID 11513139) has the molecular formula C38H78O4Si3 and a molecular weight of 683.30 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane
PubChem CID11513139
Molecular FormulaC38H78O4Si3
Molecular Weight683.30 g/mol
Exact Mass682.52
IUPAC Nametert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane
SMILESC/C(=C\CC/C=C/[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[C@H]1[C@H](C)CO[Si](C)(C)C(C)(C)C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C38H78O4Si3/c1-27(2)44(28(3)4,29(5)6)40-25-33(13)23-21-20-22-24-35(42-45(30(7)8,31(9)10)32(11)12)37-36(41-37)34(14)26-39-43(18,19)38(15,16)17/h22-24,27-32,34-37H,20-21,25-26H2,1-19H3/b24-22+,33-23+/t34-,35+,36+,37+/m1/s1
InChIKeyZOVCRCIAXGFTST-XQNFJRLLSA-N
XLogP12.45
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.30
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane (CID 11513139) is tert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane is C/C(=C\CC/C=C/[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[C@H]1[C@H](C)CO[Si](C)(C)C(C)(C)C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane?
The InChIKey is ZOVCRCIAXGFTST-XQNFJRLLSA-N. The full InChI is InChI=1S/C38H78O4Si3/c1-27(2)44(28(3)4,29(5)6)40-25-33(13)23-21-20-22-24-35(42-45(30(7)8,31(9)10)32(11)12)37-36(41-37)34(14)26-39-43(18,19)38(15,16)17/h22-24,27-32,34-37H,20-21,25-26H2,1-19H3/b24-22+,33-23+/t34-,35+,36+,37+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane?
tert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane has a molecular weight of 683.30 g/mol, XLogP of 12.45, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-2-[(2S,3R)-3-[(1S,2E,6E)-7-methyl-1,8-bis[tri(propan-2-yl)silyloxy]octa-2,6-dienyl]oxiran-2-yl]propoxy]silane is sourced from PubChem (CID 11513139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).