5-trimethylsilyloxyadamantan-2-one

C13H22O2Si — CID 18942873

IUPAC5-trimethylsilyloxyadamantan-2-one
SMILESC[Si](C)(C)OC12CC3CC(C1)C(=O)C(C3)C2
InChIInChI=1S/C13H22O2Si/c1-16(2,3)15-13-6-9-4-10(7-13)12(14)11(5-9)8-13/h9-11H,4-8H2,1-3H3
InChIKeyDJBMRSNNEKJUNV-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.99
Rot. Bonds2

About 5-trimethylsilyloxyadamantan-2-one

5-trimethylsilyloxyadamantan-2-one (PubChem CID 18942873) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is 5-trimethylsilyloxyadamantan-2-one.

Molecular Properties

Compound Name5-trimethylsilyloxyadamantan-2-one
PubChem CID18942873
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name5-trimethylsilyloxyadamantan-2-one
SMILESC[Si](C)(C)OC12CC3CC(C1)C(=O)C(C3)C2
InChIInChI=1S/C13H22O2Si/c1-16(2,3)15-13-6-9-4-10(7-13)12(14)11(5-9)8-13/h9-11H,4-8H2,1-3H3
InChIKeyDJBMRSNNEKJUNV-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'}

Analyze 5-trimethylsilyloxyadamantan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methoxyadamantan-2-one
CID 528352
3-(1-Trimethylsilyloxycyclohexyl)cyclohexan-1-one
CID 122214305
1-Trimethylsilyloxyadamantan-2-one
CID 54266458
5-Ethoxyadamantan-2-one
CID 57895807
5-[Tert-butyl(dimethyl)silyl]oxyadamantan-2-one
CID 67075633
5-Triethylsilyloxyadamantan-2-one
CID 68397338
5-(Trideuteriomethoxy)adamantan-2-one
CID 91612950
5-Sulfanyloxyadamantan-2-one
CID 129121569
Sodium 4-oxoadamantan-1-olate
CID 140019561
5-Propoxyadamantan-2-one
CID 156899507
(1R,3S)-5-propoxyadamantan-2-one
CID 166794317
(1R,3S)-5-methoxyadamantan-2-one
CID 11819644

Frequently Asked Questions

What is the IUPAC name of 5-trimethylsilyloxyadamantan-2-one?
The IUPAC name of 5-trimethylsilyloxyadamantan-2-one (CID 18942873) is 5-trimethylsilyloxyadamantan-2-one.
What is the SMILES notation for 5-trimethylsilyloxyadamantan-2-one?
The canonical SMILES for 5-trimethylsilyloxyadamantan-2-one is C[Si](C)(C)OC12CC3CC(C1)C(=O)C(C3)C2.
What is the InChIKey of 5-trimethylsilyloxyadamantan-2-one?
The InChIKey is DJBMRSNNEKJUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-16(2,3)15-13-6-9-4-10(7-13)12(14)11(5-9)8-13/h9-11H,4-8H2,1-3H3.
What are the key properties of 5-trimethylsilyloxyadamantan-2-one?
5-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 5-trimethylsilyloxyadamantan-2-one is sourced from PubChem (CID 18942873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).