(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate

C22H28O2Si — CID 102068633

IUPAC(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate
SMILESC[Si](C)(CC(=O)OC1CCCCC1c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O2Si/c1-25(2,19-13-7-4-8-14-19)17-22(23)24-21-16-10-9-15-20(21)18-11-5-3-6-12-18/h3-8,11-14,20-21H,9-10,15-17H2,1-2H3
InChIKeyGVJAXVUBTBVPHR-UHFFFAOYSA-N
MW352.55 g/mol
LogP4.87
Rot. Bonds5

About (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate

(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate (PubChem CID 102068633) has the molecular formula C22H28O2Si and a molecular weight of 352.55 g/mol. Its IUPAC name is (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate.

Molecular Properties

Compound Name(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate
PubChem CID102068633
Molecular FormulaC22H28O2Si
Molecular Weight352.55 g/mol
Exact Mass352.19
IUPAC Name(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate
SMILESC[Si](C)(CC(=O)OC1CCCCC1c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O2Si/c1-25(2,19-13-7-4-8-14-19)17-22(23)24-21-16-10-9-15-20(21)18-11-5-3-6-12-18/h3-8,11-14,20-21H,9-10,15-17H2,1-2H3
InChIKeyGVJAXVUBTBVPHR-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.87
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 (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate?
The IUPAC name of (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate (CID 102068633) is (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate.
What is the SMILES notation for (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate?
The canonical SMILES for (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate is C[Si](C)(CC(=O)OC1CCCCC1c1ccccc1)c1ccccc1.
What is the InChIKey of (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate?
The InChIKey is GVJAXVUBTBVPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O2Si/c1-25(2,19-13-7-4-8-14-19)17-22(23)24-21-16-10-9-15-20(21)18-11-5-3-6-12-18/h3-8,11-14,20-21H,9-10,15-17H2,1-2H3.
What are the key properties of (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate?
(2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate has a molecular weight of 352.55 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylcyclohexyl) 2-[dimethyl(phenyl)silyl]acetate is sourced from PubChem (CID 102068633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).