1-trimethylsilyloxyadamantan-2-one

C13H22O2Si — CID 54266458

IUPAC1-trimethylsilyloxyadamantan-2-one
SMILESC[Si](C)(C)OC12CC3CC(CC(C3)C1=O)C2
InChIInChI=1S/C13H22O2Si/c1-16(2,3)15-13-7-9-4-10(8-13)6-11(5-9)12(13)14/h9-11H,4-8H2,1-3H3
InChIKeyRHCGFJDFXPOEIJ-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.99
Rot. Bonds2

About 1-trimethylsilyloxyadamantan-2-one

1-trimethylsilyloxyadamantan-2-one (PubChem CID 54266458) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-trimethylsilyloxyadamantan-2-one.

Molecular Properties

Compound Name1-trimethylsilyloxyadamantan-2-one
PubChem CID54266458
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name1-trimethylsilyloxyadamantan-2-one
SMILESC[Si](C)(C)OC12CC3CC(CC(C3)C1=O)C2
InChIInChI=1S/C13H22O2Si/c1-16(2,3)15-13-7-9-4-10(8-13)6-11(5-9)12(13)14/h9-11H,4-8H2,1-3H3
InChIKeyRHCGFJDFXPOEIJ-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.99
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 1-trimethylsilyloxyadamantan-2-one?
The IUPAC name of 1-trimethylsilyloxyadamantan-2-one (CID 54266458) is 1-trimethylsilyloxyadamantan-2-one.
What is the SMILES notation for 1-trimethylsilyloxyadamantan-2-one?
The canonical SMILES for 1-trimethylsilyloxyadamantan-2-one is C[Si](C)(C)OC12CC3CC(CC(C3)C1=O)C2.
What is the InChIKey of 1-trimethylsilyloxyadamantan-2-one?
The InChIKey is RHCGFJDFXPOEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-16(2,3)15-13-7-9-4-10(8-13)6-11(5-9)12(13)14/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-trimethylsilyloxyadamantan-2-one?
1-trimethylsilyloxyadamantan-2-one has a molecular weight of 238.40 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyloxyadamantan-2-one is sourced from PubChem (CID 54266458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).