3-[dimethyl(phenyl)silyl]cyclopentan-1-one

C13H18OSi — CID 10867754

IUPAC3-[dimethyl(phenyl)silyl]cyclopentan-1-one
SMILESC[Si](C)(c1ccccc1)C1CCC(=O)C1
InChIInChI=1S/C13H18OSi/c1-15(2,12-6-4-3-5-7-12)13-9-8-11(14)10-13/h3-7,13H,8-10H2,1-2H3
InChIKeyATYQIQHFAGEZRO-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.73
Rot. Bonds2

About 3-[dimethyl(phenyl)silyl]cyclopentan-1-one

3-[dimethyl(phenyl)silyl]cyclopentan-1-one (PubChem CID 10867754) has the molecular formula C13H18OSi and a molecular weight of 218.37 g/mol. Its IUPAC name is 3-[dimethyl(phenyl)silyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[dimethyl(phenyl)silyl]cyclopentan-1-one
PubChem CID10867754
Molecular FormulaC13H18OSi
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name3-[dimethyl(phenyl)silyl]cyclopentan-1-one
SMILESC[Si](C)(c1ccccc1)C1CCC(=O)C1
InChIInChI=1S/C13H18OSi/c1-15(2,12-6-4-3-5-7-12)13-9-8-11(14)10-13/h3-7,13H,8-10H2,1-2H3
InChIKeyATYQIQHFAGEZRO-UHFFFAOYSA-N
XLogP2.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-[dimethyl(phenyl)silyl]cyclopentan-1-one?
The IUPAC name of 3-[dimethyl(phenyl)silyl]cyclopentan-1-one (CID 10867754) is 3-[dimethyl(phenyl)silyl]cyclopentan-1-one.
What is the SMILES notation for 3-[dimethyl(phenyl)silyl]cyclopentan-1-one?
The canonical SMILES for 3-[dimethyl(phenyl)silyl]cyclopentan-1-one is C[Si](C)(c1ccccc1)C1CCC(=O)C1.
What is the InChIKey of 3-[dimethyl(phenyl)silyl]cyclopentan-1-one?
The InChIKey is ATYQIQHFAGEZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OSi/c1-15(2,12-6-4-3-5-7-12)13-9-8-11(14)10-13/h3-7,13H,8-10H2,1-2H3.
What are the key properties of 3-[dimethyl(phenyl)silyl]cyclopentan-1-one?
3-[dimethyl(phenyl)silyl]cyclopentan-1-one has a molecular weight of 218.37 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(phenyl)silyl]cyclopentan-1-one is sourced from PubChem (CID 10867754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).