[(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane

C24H50O2Si2 — CID 57374981

IUPAC[(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCCC(C)C1=CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C24H50O2Si2/c1-13-19(2)20-15-14-16-21(25-27(9,10)23(3,4)5)22(18-17-20)26-28(11,12)24(6,7)8/h15,19,21-22H,13-14,16-18H2,1-12H3/t19?,21-,22+/m1/s1
InChIKeyPARIEKBGBJXYDN-WXPBMIAQSA-N
MW426.83 g/mol
LogP8.31
Rot. Bonds6

About [(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane

[(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 57374981) has the molecular formula C24H50O2Si2 and a molecular weight of 426.83 g/mol. Its IUPAC name is [(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID57374981
Molecular FormulaC24H50O2Si2
Molecular Weight426.83 g/mol
Exact Mass426.33
IUPAC Name[(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCCC(C)C1=CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C24H50O2Si2/c1-13-19(2)20-15-14-16-21(25-27(9,10)23(3,4)5)22(18-17-20)26-28(11,12)24(6,7)8/h15,19,21-22H,13-14,16-18H2,1-12H3/t19?,21-,22+/m1/s1
InChIKeyPARIEKBGBJXYDN-WXPBMIAQSA-N
XLogP8.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.83
LogP ≤ 58.31
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 [(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane (CID 57374981) is [(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane is CCC(C)C1=CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of [(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is PARIEKBGBJXYDN-WXPBMIAQSA-N. The full InChI is InChI=1S/C24H50O2Si2/c1-13-19(2)20-15-14-16-21(25-27(9,10)23(3,4)5)22(18-17-20)26-28(11,12)24(6,7)8/h15,19,21-22H,13-14,16-18H2,1-12H3/t19?,21-,22+/m1/s1.
What are the key properties of [(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 426.83 g/mol, XLogP of 8.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,8R)-4-butan-2-yl-8-[tert-butyl(dimethyl)silyl]oxycyclooct-4-en-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 57374981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).