1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone

C20H32O2Si — CID 134941110

IUPAC1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone
SMILESCC[Si](CC)(CC)OC(C(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C20H32O2Si/c1-4-23(5-2,6-3)22-20(18-15-11-8-12-16-18)19(21)17-13-9-7-10-14-17/h8,11-12,15-17,20H,4-7,9-10,13-14H2,1-3H3
InChIKeyPHQGYVRRCOAXRB-UHFFFAOYSA-N
MW332.56 g/mol
LogP5.90
Rot. Bonds8

About 1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone

1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone (PubChem CID 134941110) has the molecular formula C20H32O2Si and a molecular weight of 332.56 g/mol. Its IUPAC name is 1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone
PubChem CID134941110
Molecular FormulaC20H32O2Si
Molecular Weight332.56 g/mol
Exact Mass332.22
IUPAC Name1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone
SMILESCC[Si](CC)(CC)OC(C(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C20H32O2Si/c1-4-23(5-2,6-3)22-20(18-15-11-8-12-16-18)19(21)17-13-9-7-10-14-17/h8,11-12,15-17,20H,4-7,9-10,13-14H2,1-3H3
InChIKeyPHQGYVRRCOAXRB-UHFFFAOYSA-N
XLogP5.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.56
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone?
The IUPAC name of 1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone (CID 134941110) is 1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone.
What is the SMILES notation for 1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone?
The canonical SMILES for 1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone is CC[Si](CC)(CC)OC(C(=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone?
The InChIKey is PHQGYVRRCOAXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2Si/c1-4-23(5-2,6-3)22-20(18-15-11-8-12-16-18)19(21)17-13-9-7-10-14-17/h8,11-12,15-17,20H,4-7,9-10,13-14H2,1-3H3.
What are the key properties of 1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone?
1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone has a molecular weight of 332.56 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-phenyl-2-triethylsilyloxyethanone is sourced from PubChem (CID 134941110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).