tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane

C25H52O2Si2 — CID 11430610

IUPACtert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane
SMILESC=C[C@H](C)[C@@H](/C=C(\C)C[C@@H](CCC)O[Si](CC)(CC)CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O2Si2/c1-13-18-23(26-29(15-3,16-4)17-5)19-21(6)20-24(22(7)14-2)27-28(11,12)25(8,9)10/h14,20,22-24H,2,13,15-19H2,1,3-12H3/b21-20+/t22-,23+,24+/m0/s1
InChIKeyWGZPLGLPGMGOTE-SACSPNCMSA-N
MW440.86 g/mol
LogP8.73
Rot. Bonds14

About tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane

tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane (PubChem CID 11430610) has the molecular formula C25H52O2Si2 and a molecular weight of 440.86 g/mol. Its IUPAC name is tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane
PubChem CID11430610
Molecular FormulaC25H52O2Si2
Molecular Weight440.86 g/mol
Exact Mass440.35
IUPAC Nametert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane
SMILESC=C[C@H](C)[C@@H](/C=C(\C)C[C@@H](CCC)O[Si](CC)(CC)CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H52O2Si2/c1-13-18-23(26-29(15-3,16-4)17-5)19-21(6)20-24(22(7)14-2)27-28(11,12)25(8,9)10/h14,20,22-24H,2,13,15-19H2,1,3-12H3/b21-20+/t22-,23+,24+/m0/s1
InChIKeyWGZPLGLPGMGOTE-SACSPNCMSA-N
XLogP8.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.86
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane (CID 11430610) is tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane is C=C[C@H](C)[C@@H](/C=C(\C)C[C@@H](CCC)O[Si](CC)(CC)CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane?
The InChIKey is WGZPLGLPGMGOTE-SACSPNCMSA-N. The full InChI is InChI=1S/C25H52O2Si2/c1-13-18-23(26-29(15-3,16-4)17-5)19-21(6)20-24(22(7)14-2)27-28(11,12)25(8,9)10/h14,20,22-24H,2,13,15-19H2,1,3-12H3/b21-20+/t22-,23+,24+/m0/s1.
What are the key properties of tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane has a molecular weight of 440.86 g/mol, XLogP of 8.73, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 11430610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).