5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one

C16H28O2Si — CID 67075633

IUPAC5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one
SMILESCC(C)(C)[Si](C)(C)OC12CC3CC(C1)C(=O)C(C3)C2
InChIInChI=1S/C16H28O2Si/c1-15(2,3)19(4,5)18-16-8-11-6-12(9-16)14(17)13(7-11)10-16/h11-13H,6-10H2,1-5H3
InChIKeyVUIYJYXACYVMLX-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.16
Rot. Bonds2

About 5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one

5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one (PubChem CID 67075633) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one
PubChem CID67075633
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one
SMILESCC(C)(C)[Si](C)(C)OC12CC3CC(C1)C(=O)C(C3)C2
InChIInChI=1S/C16H28O2Si/c1-15(2,3)19(4,5)18-16-8-11-6-12(9-16)14(17)13(7-11)10-16/h11-13H,6-10H2,1-5H3
InChIKeyVUIYJYXACYVMLX-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one (CID 67075633) is 5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one is CC(C)(C)[Si](C)(C)OC12CC3CC(C1)C(=O)C(C3)C2.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one?
The InChIKey is VUIYJYXACYVMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-15(2,3)19(4,5)18-16-8-11-6-12(9-16)14(17)13(7-11)10-16/h11-13H,6-10H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one?
5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one has a molecular weight of 280.48 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxyadamantan-2-one is sourced from PubChem (CID 67075633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).