2-(2-trimethylsilylethyl)cycloheptan-1-one

C12H24OSi — CID 10242303

IUPAC2-(2-trimethylsilylethyl)cycloheptan-1-one
SMILESC[Si](C)(C)CCC1CCCCCC1=O
InChIInChI=1S/C12H24OSi/c1-14(2,3)10-9-11-7-5-4-6-8-12(11)13/h11H,4-10H2,1-3H3
InChIKeyLFRJYXHDILTKCP-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.86
Rot. Bonds3

About 2-(2-trimethylsilylethyl)cycloheptan-1-one

2-(2-trimethylsilylethyl)cycloheptan-1-one (PubChem CID 10242303) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 2-(2-trimethylsilylethyl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(2-trimethylsilylethyl)cycloheptan-1-one
PubChem CID10242303
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name2-(2-trimethylsilylethyl)cycloheptan-1-one
SMILESC[Si](C)(C)CCC1CCCCCC1=O
InChIInChI=1S/C12H24OSi/c1-14(2,3)10-9-11-7-5-4-6-8-12(11)13/h11H,4-10H2,1-3H3
InChIKeyLFRJYXHDILTKCP-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.86
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

4-Methylcycloheptanone
CID 227397
2-Methylcycloheptanone
CID 543503
(3R)-3-methylcycloheptan-1-one
CID 11815867
2-Ethylcycloheptan-1-one
CID 226593
3-Methylcycloheptanone
CID 534955
Cycloheptanone, 3-butyl-
CID 573882
1-Cycloheptylpropan-1-one
CID 12585765
1-Cycloheptylethan-1-one
CID 12676352
2-Isopropylcycloheptanone
CID 15074129
4-Ethylcycloheptan-1-one
CID 15698158
1-Cycloheptylpropan-2-one
CID 227413
1-Cyclohexyl-2-(trimethylsilyl)ethanone
CID 552815

Frequently Asked Questions

What is the IUPAC name of 2-(2-trimethylsilylethyl)cycloheptan-1-one?
The IUPAC name of 2-(2-trimethylsilylethyl)cycloheptan-1-one (CID 10242303) is 2-(2-trimethylsilylethyl)cycloheptan-1-one.
What is the SMILES notation for 2-(2-trimethylsilylethyl)cycloheptan-1-one?
The canonical SMILES for 2-(2-trimethylsilylethyl)cycloheptan-1-one is C[Si](C)(C)CCC1CCCCCC1=O.
What is the InChIKey of 2-(2-trimethylsilylethyl)cycloheptan-1-one?
The InChIKey is LFRJYXHDILTKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-14(2,3)10-9-11-7-5-4-6-8-12(11)13/h11H,4-10H2,1-3H3.
What are the key properties of 2-(2-trimethylsilylethyl)cycloheptan-1-one?
2-(2-trimethylsilylethyl)cycloheptan-1-one has a molecular weight of 212.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trimethylsilylethyl)cycloheptan-1-one is sourced from PubChem (CID 10242303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).