ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate

C29H32O4Si — CID 54011243

IUPACethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
SMILESCCOC(=O)C1CCc2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cccc2C1=O
InChIInChI=1S/C29H32O4Si/c1-5-32-28(31)25-20-19-23-24(27(25)30)17-12-18-26(23)33-34(29(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-18,25H,5,19-20H2,1-4H3
InChIKeyKSNCDQIYGSDTTL-UHFFFAOYSA-N
MW472.66 g/mol
LogP4.93
Rot. Bonds6

About ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate

ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate (PubChem CID 54011243) has the molecular formula C29H32O4Si and a molecular weight of 472.66 g/mol. Its IUPAC name is ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
PubChem CID54011243
Molecular FormulaC29H32O4Si
Molecular Weight472.66 g/mol
Exact Mass472.21
IUPAC Nameethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
SMILESCCOC(=O)C1CCc2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cccc2C1=O
InChIInChI=1S/C29H32O4Si/c1-5-32-28(31)25-20-19-23-24(27(25)30)17-12-18-26(23)33-34(29(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-18,25H,5,19-20H2,1-4H3
InChIKeyKSNCDQIYGSDTTL-UHFFFAOYSA-N
XLogP4.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.66
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (1S,2R)-5-[tert-butyl(diphenyl)silyl]oxy-1,2-dihydroxy-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 54371121
diethyl (6R,8S)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulene-6,8-dicarboxylate
CID 92522808
2-[(1R,2R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl N,N-diphenylcarbamate
CID 70187793
ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorocyclopropane-1-carboxylate
CID 174055534
cis-ethyl (1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carboxylate
CID 131735737
[1-[tert-butyl(diphenyl)silyl]oxy-6,7-dihydroxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-yl]methyl N,N-diphenylcarbamate
CID 22467311
ethyl 5-oxo-7,8-dihydro-6H-isoquinoline-6-carboxylate
CID 23157134
ethyl 2,3-dioxocyclopentane-1-carboxylate
CID 130026867
N-[(E)-[4-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydroinden-1-ylidene]amino]-4-methylbenzenesulfonamide
CID 87787954
ethyl 1-oxo-4-phenyl-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 102165448
ethyl 9-chloro-5-oxo-3,4-dihydro-2H-1-benzoxepine-4-carboxylate
CID 70121974
ethyl 8-methoxy-4-oxo-2,3-dihydro-1H-quinoline-3-carboxylate
CID 141043636

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate?
The IUPAC name of ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate (CID 54011243) is ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate.
What is the SMILES notation for ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate?
The canonical SMILES for ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate is CCOC(=O)C1CCc2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cccc2C1=O.
What is the InChIKey of ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate?
The InChIKey is KSNCDQIYGSDTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32O4Si/c1-5-32-28(31)25-20-19-23-24(27(25)30)17-12-18-26(23)33-34(29(2,3)4,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-18,25H,5,19-20H2,1-4H3.
What are the key properties of ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate?
ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate has a molecular weight of 472.66 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[tert-butyl(diphenyl)silyl]oxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate is sourced from PubChem (CID 54011243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).