diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate

C17H28O6Si — CID 15093060

IUPACdiethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
SMILESCCOC(=O)C1=CC(C(=O)OCC)C(OC)(O[Si](C)(C)C)C=CC1
InChIInChI=1S/C17H28O6Si/c1-7-21-15(18)13-10-9-11-17(20-3,23-24(4,5)6)14(12-13)16(19)22-8-2/h9,11-12,14H,7-8,10H2,1-6H3
InChIKeyDJXAQLLOTOIFIZ-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.81
Rot. Bonds7

About diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate

diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate (PubChem CID 15093060) has the molecular formula C17H28O6Si and a molecular weight of 356.49 g/mol. Its IUPAC name is diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
PubChem CID15093060
Molecular FormulaC17H28O6Si
Molecular Weight356.49 g/mol
Exact Mass356.17
IUPAC Namediethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
SMILESCCOC(=O)C1=CC(C(=O)OCC)C(OC)(O[Si](C)(C)C)C=CC1
InChIInChI=1S/C17H28O6Si/c1-7-21-15(18)13-10-9-11-17(20-3,23-24(4,5)6)14(12-13)16(19)22-8-2/h9,11-12,14H,7-8,10H2,1-6H3
InChIKeyDJXAQLLOTOIFIZ-UHFFFAOYSA-N
XLogP2.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15093068
Diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
CID 15093065
Tert-butyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15093067
Ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15093069
Diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
CID 15642655
Ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 134887610
diethyl (1R,4S,5S)-8-oxabicyclo[3.2.1]octa-2,6-diene-2,4-dicarboxylate
CID 134916449
[(E,2S)-6-[(2-methylpropan-2-yl)oxy]-6-oxohex-4-en-2-yl] (E,5S)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxyhex-2-enoate
CID 58599701
[6-[(2-Methylpropan-2-yl)oxy]-6-oxohex-4-en-2-yl] 5-[3-[tert-butyl(dimethyl)silyl]oxybutanoyloxy]hex-2-enoate
CID 72967965
[(2S)-6-[(2-methylpropan-2-yl)oxy]-6-oxohex-4-en-2-yl] (5S)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxyhex-2-enoate
CID 91046523
Ethyl 6-[tert-butyl(dimethyl)silyl]oxycyclohexa-1,4-diene-1-carboxylate
CID 10924034
[(E,2S)-6-[(2-methylpropan-2-yl)oxy]-6-oxohex-4-en-2-yl] (E,5S)-5-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoyl]oxyhex-2-enoate
CID 11454814

Frequently Asked Questions

What is the IUPAC name of diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate?
The IUPAC name of diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate (CID 15093060) is diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate?
The canonical SMILES for diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate is CCOC(=O)C1=CC(C(=O)OCC)C(OC)(O[Si](C)(C)C)C=CC1.
What is the InChIKey of diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate?
The InChIKey is DJXAQLLOTOIFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O6Si/c1-7-21-15(18)13-10-9-11-17(20-3,23-24(4,5)6)14(12-13)16(19)22-8-2/h9,11-12,14H,7-8,10H2,1-6H3.
What are the key properties of diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate?
diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate has a molecular weight of 356.49 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate is sourced from PubChem (CID 15093060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).