diethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate

C24H36O5Si — CID 11201314

IUPACdiethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate
SMILESCCOC(=O)C(C)(C(=O)OCC)[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc21
InChIInChI=1S/C24H36O5Si/c1-9-27-21(25)24(6,22(26)28-10-2)19-15-16-20(18-14-12-11-13-17(18)19)29-30(7,8)23(3,4)5/h11-16,19-20H,9-10H2,1-8H3/t19-,20-/m1/s1
InChIKeyNZVZJDQQIHRRQY-WOJBJXKFSA-N
MW432.63 g/mol
LogP5.54
Rot. Bonds7

About diethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate

diethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate (PubChem CID 11201314) has the molecular formula C24H36O5Si and a molecular weight of 432.63 g/mol. Its IUPAC name is diethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate.

Molecular Properties

Compound Namediethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate
PubChem CID11201314
Molecular FormulaC24H36O5Si
Molecular Weight432.63 g/mol
Exact Mass432.23
IUPAC Namediethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate
SMILESCCOC(=O)C(C)(C(=O)OCC)[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc21
InChIInChI=1S/C24H36O5Si/c1-9-27-21(25)24(6,22(26)28-10-2)19-15-16-20(18-14-12-11-13-17(18)19)29-30(7,8)23(3,4)5/h11-16,19-20H,9-10H2,1-8H3/t19-,20-/m1/s1
InChIKeyNZVZJDQQIHRRQY-WOJBJXKFSA-N
XLogP5.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.63
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate?
The IUPAC name of diethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate (CID 11201314) is diethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate.
What is the SMILES notation for diethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate?
The canonical SMILES for diethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate is CCOC(=O)C(C)(C(=O)OCC)[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)c2ccccc21.
What is the InChIKey of diethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate?
The InChIKey is NZVZJDQQIHRRQY-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H36O5Si/c1-9-27-21(25)24(6,22(26)28-10-2)19-15-16-20(18-14-12-11-13-17(18)19)29-30(7,8)23(3,4)5/h11-16,19-20H,9-10H2,1-8H3/t19-,20-/m1/s1.
What are the key properties of diethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate?
diethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate has a molecular weight of 432.63 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,4-dihydronaphthalen-1-yl]-2-methylpropanedioate is sourced from PubChem (CID 11201314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).