[4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate

C28H36O4Si — CID 56979766

IUPAC[4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate
SMILESCC(C)C1=CCC(C)(C)c2ccc(C(=O)Oc3ccc(C(=O)OCC[Si](C)(C)C)cc3)cc21
InChIInChI=1S/C28H36O4Si/c1-19(2)23-14-15-28(3,4)25-13-10-21(18-24(23)25)27(30)32-22-11-8-20(9-12-22)26(29)31-16-17-33(5,6)7/h8-14,18-19H,15-17H2,1-7H3
InChIKeyQGPIVYGWJQVQIL-UHFFFAOYSA-N
MW464.68 g/mol
LogP7.12
Rot. Bonds7

About [4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate

[4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate (PubChem CID 56979766) has the molecular formula C28H36O4Si and a molecular weight of 464.68 g/mol. Its IUPAC name is [4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate.

Molecular Properties

Compound Name[4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate
PubChem CID56979766
Molecular FormulaC28H36O4Si
Molecular Weight464.68 g/mol
Exact Mass464.24
IUPAC Name[4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate
SMILESCC(C)C1=CCC(C)(C)c2ccc(C(=O)Oc3ccc(C(=O)OCC[Si](C)(C)C)cc3)cc21
InChIInChI=1S/C28H36O4Si/c1-19(2)23-14-15-28(3,4)25-13-10-21(18-24(23)25)27(30)32-22-11-8-20(9-12-22)26(29)31-16-17-33(5,6)7/h8-14,18-19H,15-17H2,1-7H3
InChIKeyQGPIVYGWJQVQIL-UHFFFAOYSA-N
XLogP7.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.68
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate with MolForge

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Related Compounds

[4-(2-trimethylsilylethoxycarbonyl)phenyl] 8-hydroxy-5,5-dimethyl-7,8-dihydro-6H-naphthalene-2-carboxylate
CID 22571575
4-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalene-2-carbonyl]oxybenzoic acid
CID 22323786
2-trimethylsilylethyl 4-hydroxybenzoate
CID 10847549
2-trimethylsilylethyl 4-iodobenzoate
CID 11290981
2-trimethylsilylethyl 4-[2-(8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]benzoate
CID 54412444
2-trimethylsilylethyl 4-amino-3-methoxybenzoate
CID 10778254
2-trimethylsilylethyl 4-(hydroxymethyl)benzoate
CID 178078646
(4-propoxycarbonylphenyl) 7-ethyl-2,2,4,4-tetramethyl-3H-chromene-6-carboxylate
CID 54143301
ethyl 4-[(1-ethyl-5,5-dimethyl-8-propan-2-yl-3-propan-2-yloxy-6H-naphthalen-2-yl)amino]benzoate
CID 91435862
4-O-(3,4-dichlorophenyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730763
ethyl 4-[2-(8-acetyloxy-5,5-dimethyl-6H-naphthalen-2-yl)ethynyl]benzoate
CID 19962328
(4-propoxycarbonylphenyl) 4-propylbenzoate
CID 54267228

Frequently Asked Questions

What is the IUPAC name of [4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate?
The IUPAC name of [4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate (CID 56979766) is [4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate.
What is the SMILES notation for [4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate?
The canonical SMILES for [4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate is CC(C)C1=CCC(C)(C)c2ccc(C(=O)Oc3ccc(C(=O)OCC[Si](C)(C)C)cc3)cc21.
What is the InChIKey of [4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate?
The InChIKey is QGPIVYGWJQVQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O4Si/c1-19(2)23-14-15-28(3,4)25-13-10-21(18-24(23)25)27(30)32-22-11-8-20(9-12-22)26(29)31-16-17-33(5,6)7/h8-14,18-19H,15-17H2,1-7H3.
What are the key properties of [4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate?
[4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate has a molecular weight of 464.68 g/mol, XLogP of 7.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-trimethylsilylethoxycarbonyl)phenyl] 5,5-dimethyl-8-propan-2-yl-6H-naphthalene-2-carboxylate is sourced from PubChem (CID 56979766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).