tert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane

C30H62O6Si2 — CID 46894696

IUPACtert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane
SMILESCOCCOCO[C@@H]1CC[C@@H](/C=C/CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)O[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H62O6Si2/c1-25(36-38(11,12)30(5,6)7)16-14-13-15-17-26-18-19-27(33-24-32-23-22-31-8)28(35-26)20-21-34-37(9,10)29(2,3)4/h15,17,25-28H,13-14,16,18-24H2,1-12H3/b17-15+/t25-,26-,27-,28-/m1/s1
InChIKeyIITZDHVOHBLTBZ-ACVZNPHXSA-N
MW574.99 g/mol
LogP8.09
Rot. Bonds17

About tert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane (PubChem CID 46894696) has the molecular formula C30H62O6Si2 and a molecular weight of 574.99 g/mol. Its IUPAC name is tert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane
PubChem CID46894696
Molecular FormulaC30H62O6Si2
Molecular Weight574.99 g/mol
Exact Mass574.41
IUPAC Nametert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane
SMILESCOCCOCO[C@@H]1CC[C@@H](/C=C/CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)O[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H62O6Si2/c1-25(36-38(11,12)30(5,6)7)16-14-13-15-17-26-18-19-27(33-24-32-23-22-31-8)28(35-26)20-21-34-37(9,10)29(2,3)4/h15,17,25-28H,13-14,16,18-24H2,1-12H3/b17-15+/t25-,26-,27-,28-/m1/s1
InChIKeyIITZDHVOHBLTBZ-ACVZNPHXSA-N
XLogP8.09
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.99
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane (CID 46894696) is tert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane is COCCOCO[C@@H]1CC[C@@H](/C=C/CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)O[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane?
The InChIKey is IITZDHVOHBLTBZ-ACVZNPHXSA-N. The full InChI is InChI=1S/C30H62O6Si2/c1-25(36-38(11,12)30(5,6)7)16-14-13-15-17-26-18-19-27(33-24-32-23-22-31-8)28(35-26)20-21-34-37(9,10)29(2,3)4/h15,17,25-28H,13-14,16,18-24H2,1-12H3/b17-15+/t25-,26-,27-,28-/m1/s1.
What are the key properties of tert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane has a molecular weight of 574.99 g/mol, XLogP of 8.09, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R)-7-[(2S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-(2-methoxyethoxymethoxy)oxan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 46894696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).