tert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane

C28H58O3Si2 — CID 102089057

IUPACtert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane
SMILESCC(C)C/C=C/[C@@H](C[C@@H]1CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H58O3Si2/c1-22(2)15-14-16-25(31-33(12,13)28(7,8)9)21-24-18-17-23(3)26(30-24)19-20-29-32(10,11)27(4,5)6/h14,16,22-26H,15,17-21H2,1-13H3/b16-14+/t23-,24-,25-,26+/m0/s1
InChIKeyWMBZDWGYFFZNNP-DZAJDTOQSA-N
MW498.94 g/mol
LogP8.96
Rot. Bonds11

About tert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane (PubChem CID 102089057) has the molecular formula C28H58O3Si2 and a molecular weight of 498.94 g/mol. Its IUPAC name is tert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane
PubChem CID102089057
Molecular FormulaC28H58O3Si2
Molecular Weight498.94 g/mol
Exact Mass498.39
IUPAC Nametert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane
SMILESCC(C)C/C=C/[C@@H](C[C@@H]1CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H58O3Si2/c1-22(2)15-14-16-25(31-33(12,13)28(7,8)9)21-24-18-17-23(3)26(30-24)19-20-29-32(10,11)27(4,5)6/h14,16,22-26H,15,17-21H2,1-13H3/b16-14+/t23-,24-,25-,26+/m0/s1
InChIKeyWMBZDWGYFFZNNP-DZAJDTOQSA-N
XLogP8.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.94
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane (CID 102089057) is tert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane is CC(C)C/C=C/[C@@H](C[C@@H]1CC[C@H](C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane?
The InChIKey is WMBZDWGYFFZNNP-DZAJDTOQSA-N. The full InChI is InChI=1S/C28H58O3Si2/c1-22(2)15-14-16-25(31-33(12,13)28(7,8)9)21-24-18-17-23(3)26(30-24)19-20-29-32(10,11)27(4,5)6/h14,16,22-26H,15,17-21H2,1-13H3/b16-14+/t23-,24-,25-,26+/m0/s1.
What are the key properties of tert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane has a molecular weight of 498.94 g/mol, XLogP of 8.96, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R)-1-[(2S,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-yl]-6-methylhept-3-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 102089057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).