[(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane

C18H34O2Si2 — CID 13159094

IUPAC[(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane
SMILESCO[Si](C)(C)/C=C(/O[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H34O2Si2/c1-19-22(5,6)13-17(20-21(2,3)4)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-16H,7-12H2,1-6H3/b17-13+
InChIKeyBCUOSISWILEJQD-GHRIWEEISA-N
MW338.64 g/mol
LogP5.33
Rot. Bonds5

About [(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane

[(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane (PubChem CID 13159094) has the molecular formula C18H34O2Si2 and a molecular weight of 338.64 g/mol. Its IUPAC name is [(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane
PubChem CID13159094
Molecular FormulaC18H34O2Si2
Molecular Weight338.64 g/mol
Exact Mass338.21
IUPAC Name[(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane
SMILESCO[Si](C)(C)/C=C(/O[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H34O2Si2/c1-19-22(5,6)13-17(20-21(2,3)4)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-16H,7-12H2,1-6H3/b17-13+
InChIKeyBCUOSISWILEJQD-GHRIWEEISA-N
XLogP5.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.64
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane?
The IUPAC name of [(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane (CID 13159094) is [(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane.
What is the SMILES notation for [(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane?
The canonical SMILES for [(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane is CO[Si](C)(C)/C=C(/O[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane?
The InChIKey is BCUOSISWILEJQD-GHRIWEEISA-N. The full InChI is InChI=1S/C18H34O2Si2/c1-19-22(5,6)13-17(20-21(2,3)4)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-16H,7-12H2,1-6H3/b17-13+.
What are the key properties of [(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane?
[(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane has a molecular weight of 338.64 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(1-adamantyl)-2-[methoxy(dimethyl)silyl]ethenoxy]-trimethylsilane is sourced from PubChem (CID 13159094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).