1-trimethylsilyladamantan-2-one

C13H22OSi — CID 91171503

IUPAC1-trimethylsilyladamantan-2-one
SMILESC[Si](C)(C)C12CC3CC(CC(C3)C1=O)C2
InChIInChI=1S/C13H22OSi/c1-15(2,3)13-7-9-4-10(8-13)6-11(5-9)12(13)14/h9-11H,4-8H2,1-3H3
InChIKeyDQNZEKGCVHGYSP-UHFFFAOYSA-N
MW222.40 g/mol
LogP3.47
Rot. Bonds1

About 1-trimethylsilyladamantan-2-one

1-trimethylsilyladamantan-2-one (PubChem CID 91171503) has the molecular formula C13H22OSi and a molecular weight of 222.40 g/mol. Its IUPAC name is 1-trimethylsilyladamantan-2-one.

Molecular Properties

Compound Name1-trimethylsilyladamantan-2-one
PubChem CID91171503
Molecular FormulaC13H22OSi
Molecular Weight222.40 g/mol
Exact Mass222.14
IUPAC Name1-trimethylsilyladamantan-2-one
SMILESC[Si](C)(C)C12CC3CC(CC(C3)C1=O)C2
InChIInChI=1S/C13H22OSi/c1-15(2,3)13-7-9-4-10(8-13)6-11(5-9)12(13)14/h9-11H,4-8H2,1-3H3
InChIKeyDQNZEKGCVHGYSP-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Adamantanone
CID 64151
Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone
CID 123126
1-(Adamantan-1-yl)propan-2-one
CID 3686351
1-(1-Adamantyl)propan-1-one
CID 526924
n-Propyladamantyl ketone
CID 526929
Dimethyladamantanone
CID 12561793
Methyladamantanone
CID 12600028
2-Methyl-6-(trimethylsilylmethyl)cyclohexan-1-one
CID 14712713
5-Deuterioadamantan-2-one
CID 100924091
n-Butyladamantyl ketone
CID 526927
1-Acetyl-3,5-dimethyl Adamantane
CID 12113124
1-(1-Adamantyl)-2-pentanone
CID 12619333

Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilyladamantan-2-one?
The IUPAC name of 1-trimethylsilyladamantan-2-one (CID 91171503) is 1-trimethylsilyladamantan-2-one.
What is the SMILES notation for 1-trimethylsilyladamantan-2-one?
The canonical SMILES for 1-trimethylsilyladamantan-2-one is C[Si](C)(C)C12CC3CC(CC(C3)C1=O)C2.
What is the InChIKey of 1-trimethylsilyladamantan-2-one?
The InChIKey is DQNZEKGCVHGYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OSi/c1-15(2,3)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-trimethylsilyladamantan-2-one?
1-trimethylsilyladamantan-2-one has a molecular weight of 222.40 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilyladamantan-2-one is sourced from PubChem (CID 91171503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).