2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone

C18H30OSi — CID 14451181

IUPAC2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone
SMILESCC(C)(C)[Si](C)(C)C(=C=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30OSi/c1-17(2,3)20(4,5)16(12-19)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15H,6-11H2,1-5H3
InChIKeyUWJXTBIBMUVIME-UHFFFAOYSA-N
MW290.52 g/mol
LogP5.01
Rot. Bonds2

About 2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone

2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone (PubChem CID 14451181) has the molecular formula C18H30OSi and a molecular weight of 290.52 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone.

Molecular Properties

Compound Name2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone
PubChem CID14451181
Molecular FormulaC18H30OSi
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone
SMILESCC(C)(C)[Si](C)(C)C(=C=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30OSi/c1-17(2,3)20(4,5)16(12-19)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15H,6-11H2,1-5H3
InChIKeyUWJXTBIBMUVIME-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone?
The IUPAC name of 2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone (CID 14451181) is 2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone.
What is the SMILES notation for 2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone?
The canonical SMILES for 2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone is CC(C)(C)[Si](C)(C)C(=C=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone?
The InChIKey is UWJXTBIBMUVIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30OSi/c1-17(2,3)20(4,5)16(12-19)18-9-13-6-14(10-18)8-15(7-13)11-18/h13-15H,6-11H2,1-5H3.
What are the key properties of 2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone?
2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone has a molecular weight of 290.52 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-2-[tert-butyl(dimethyl)silyl]ethenone is sourced from PubChem (CID 14451181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).