tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate

C20H26O3Si — CID 68894803

IUPACtert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate
SMILESCC(C)(C)OC(=O)Oc1ccc2cc(C=C[Si](C)(C)C)ccc2c1
InChIInChI=1S/C20H26O3Si/c1-20(2,3)23-19(21)22-18-10-9-16-13-15(7-8-17(16)14-18)11-12-24(4,5)6/h7-14H,1-6H3
InChIKeyGZOUIYWSALRJFL-UHFFFAOYSA-N
MW342.51 g/mol
LogP6.04
Rot. Bonds3

About tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate

tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate (PubChem CID 68894803) has the molecular formula C20H26O3Si and a molecular weight of 342.51 g/mol. Its IUPAC name is tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate
PubChem CID68894803
Molecular FormulaC20H26O3Si
Molecular Weight342.51 g/mol
Exact Mass342.17
IUPAC Nametert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate
SMILESCC(C)(C)OC(=O)Oc1ccc2cc(C=C[Si](C)(C)C)ccc2c1
InChIInChI=1S/C20H26O3Si/c1-20(2,3)23-19(21)22-18-10-9-16-13-15(7-8-17(16)14-18)11-12-24(4,5)6/h7-14H,1-6H3
InChIKeyGZOUIYWSALRJFL-UHFFFAOYSA-N
XLogP6.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate?
The IUPAC name of tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate (CID 68894803) is tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate.
What is the SMILES notation for tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate?
The canonical SMILES for tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate is CC(C)(C)OC(=O)Oc1ccc2cc(C=C[Si](C)(C)C)ccc2c1.
What is the InChIKey of tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate?
The InChIKey is GZOUIYWSALRJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3Si/c1-20(2,3)23-19(21)22-18-10-9-16-13-15(7-8-17(16)14-18)11-12-24(4,5)6/h7-14H,1-6H3.
What are the key properties of tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate?
tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate has a molecular weight of 342.51 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [6-(2-trimethylsilylethenyl)naphthalen-2-yl] carbonate is sourced from PubChem (CID 68894803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).