2-[butyl(dimethyl)silyl]cyclohexan-1-one

C12H24OSi — CID 69364558

IUPAC2-[butyl(dimethyl)silyl]cyclohexan-1-one
SMILESCCCC[Si](C)(C)C1CCCCC1=O
InChIInChI=1S/C12H24OSi/c1-4-5-10-14(2,3)12-9-7-6-8-11(12)13/h12H,4-10H2,1-3H3
InChIKeyRAEOMXITUKHASZ-UHFFFAOYSA-N
MW212.41 g/mol
LogP4.01
Rot. Bonds4

About 2-[butyl(dimethyl)silyl]cyclohexan-1-one

2-[butyl(dimethyl)silyl]cyclohexan-1-one (PubChem CID 69364558) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 2-[butyl(dimethyl)silyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[butyl(dimethyl)silyl]cyclohexan-1-one
PubChem CID69364558
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name2-[butyl(dimethyl)silyl]cyclohexan-1-one
SMILESCCCC[Si](C)(C)C1CCCCC1=O
InChIInChI=1S/C12H24OSi/c1-4-5-10-14(2,3)12-9-7-6-8-11(12)13/h12H,4-10H2,1-3H3
InChIKeyRAEOMXITUKHASZ-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[butyl(dimethyl)silyl]cyclohexan-1-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

Silane, trimethyl(1-oxohexyl)-
CID 163012
trans-(2R,6R)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one
CID 15339851
4-(Trimethylsilyl)cyclohexanone
CID 4060849
6-Trimethylsilylhexan-4-one
CID 14112750
cis-(2R,6S)-2-[tert-butyl(dimethyl)silyl]-6-fluorocyclohexan-1-one
CID 135055874
1-Trimethylsilylhexane-1,5-dione
CID 10397556
(2R)-2-[tert-butyl(dimethyl)silyl]cyclohexan-1-one
CID 11052982
Cyclohexanone, 3-(trimethylsilyl)-
CID 10964964
1,1-Dimethylsilacyclotridecan-7-one
CID 554403
6-Trimethylsilylhexan-2-one
CID 10080847
2-Trimethylsilylcyclohexan-1-one
CID 12705672
1-Triethylsilyloctan-3-one
CID 10332003

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(dimethyl)silyl]cyclohexan-1-one?
The IUPAC name of 2-[butyl(dimethyl)silyl]cyclohexan-1-one (CID 69364558) is 2-[butyl(dimethyl)silyl]cyclohexan-1-one.
What is the SMILES notation for 2-[butyl(dimethyl)silyl]cyclohexan-1-one?
The canonical SMILES for 2-[butyl(dimethyl)silyl]cyclohexan-1-one is CCCC[Si](C)(C)C1CCCCC1=O.
What is the InChIKey of 2-[butyl(dimethyl)silyl]cyclohexan-1-one?
The InChIKey is RAEOMXITUKHASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-4-5-10-14(2,3)12-9-7-6-8-11(12)13/h12H,4-10H2,1-3H3.
What are the key properties of 2-[butyl(dimethyl)silyl]cyclohexan-1-one?
2-[butyl(dimethyl)silyl]cyclohexan-1-one has a molecular weight of 212.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(dimethyl)silyl]cyclohexan-1-one is sourced from PubChem (CID 69364558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).