tert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane

C33H60O2Si2 — CID 24756281

IUPACtert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane
SMILESC=C[C@@H]1[C@@H](CCCCC/C=C/C)[C@@H]2C=C[C@H]1[C@@]2(CO[Si](C)(C)C(C)(C)C)C(=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H60O2Si2/c1-14-16-17-18-19-20-21-28-27(15-2)29-22-23-30(28)33(29,25-35-37(12,13)32(7,8)9)26(3)24-34-36(10,11)31(4,5)6/h14-16,22-23,27-30H,2-3,17-21,24-25H2,1,4-13H3/b16-14+/t27-,28-,29-,30+,33-/m1/s1
InChIKeySFRHIRRJDBOKGV-DNFDFLGGSA-N
MW545.01 g/mol
LogP10.33
Rot. Bonds14

About tert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane

tert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane (PubChem CID 24756281) has the molecular formula C33H60O2Si2 and a molecular weight of 545.01 g/mol. Its IUPAC name is tert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane
PubChem CID24756281
Molecular FormulaC33H60O2Si2
Molecular Weight545.01 g/mol
Exact Mass544.41
IUPAC Nametert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane
SMILESC=C[C@@H]1[C@@H](CCCCC/C=C/C)[C@@H]2C=C[C@H]1[C@@]2(CO[Si](C)(C)C(C)(C)C)C(=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H60O2Si2/c1-14-16-17-18-19-20-21-28-27(15-2)29-22-23-30(28)33(29,25-35-37(12,13)32(7,8)9)26(3)24-34-36(10,11)31(4,5)6/h14-16,22-23,27-30H,2-3,17-21,24-25H2,1,4-13H3/b16-14+/t27-,28-,29-,30+,33-/m1/s1
InChIKeySFRHIRRJDBOKGV-DNFDFLGGSA-N
XLogP10.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.01
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane (CID 24756281) is tert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane is C=C[C@@H]1[C@@H](CCCCC/C=C/C)[C@@H]2C=C[C@H]1[C@@]2(CO[Si](C)(C)C(C)(C)C)C(=C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane?
The InChIKey is SFRHIRRJDBOKGV-DNFDFLGGSA-N. The full InChI is InChI=1S/C33H60O2Si2/c1-14-16-17-18-19-20-21-28-27(15-2)29-22-23-30(28)33(29,25-35-37(12,13)32(7,8)9)26(3)24-34-36(10,11)31(4,5)6/h14-16,22-23,27-30H,2-3,17-21,24-25H2,1,4-13H3/b16-14+/t27-,28-,29-,30+,33-/m1/s1.
What are the key properties of tert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane?
tert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane has a molecular weight of 545.01 g/mol, XLogP of 10.33, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(1S,4R,5R,6R,7R)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-oct-6-enyl]-7-bicyclo[2.2.1]hept-2-enyl]prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 24756281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).