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

C18H30O7Si — CID 15093065

IUPACdiethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
SMILESCCOC(=O)C1=CC(OC)(C(=O)OCC)C(OC)(O[Si](C)(C)C)C=CC1
InChIInChI=1S/C18H30O7Si/c1-8-23-15(19)14-11-10-12-18(22-4,25-26(5,6)7)17(13-14,21-3)16(20)24-9-2/h10,12-13H,8-9,11H2,1-7H3
InChIKeyGMJPASPLUSXGQZ-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.58
Rot. Bonds8

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

diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate (PubChem CID 15093065) has the molecular formula C18H30O7Si and a molecular weight of 386.52 g/mol. Its IUPAC name is diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
PubChem CID15093065
Molecular FormulaC18H30O7Si
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Namediethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
SMILESCCOC(=O)C1=CC(OC)(C(=O)OCC)C(OC)(O[Si](C)(C)C)C=CC1
InChIInChI=1S/C18H30O7Si/c1-8-23-15(19)14-11-10-12-18(22-4,25-26(5,6)7)17(13-14,21-3)16(20)24-9-2/h10,12-13H,8-9,11H2,1-7H3
InChIKeyGMJPASPLUSXGQZ-UHFFFAOYSA-N
XLogP2.58
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Diethyl 2-trimethylsilyloxy-2,5-dihydropyran-6,6-dicarboxylate
CID 12809656
Diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
CID 15093060
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
methyl (1S,6R)-1-acetyloxy-6-[tert-butyl(dimethyl)silyl]oxycyclohexa-2,4-diene-1-carboxylate
CID 146170195
methyl (3S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexa-1,4-diene-1-carboxylate
CID 10316965
[(2S)-1-methoxy-1-oxopropan-2-yl] (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 102062230
[(2S)-1-methoxy-1-oxopropan-2-yl] (1S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 102062231
[(2S)-1-methoxy-1-oxopropan-2-yl] (1S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 102062233
[(2S)-1-methoxy-1-oxopropan-2-yl] (1R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4,5-dimethyl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
CID 102062234

Frequently Asked Questions

What is the IUPAC name of diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate?
The IUPAC name of diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate (CID 15093065) is diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate?
The canonical SMILES for diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate is CCOC(=O)C1=CC(OC)(C(=O)OCC)C(OC)(O[Si](C)(C)C)C=CC1.
What is the InChIKey of diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate?
The InChIKey is GMJPASPLUSXGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O7Si/c1-8-23-15(19)14-11-10-12-18(22-4,25-26(5,6)7)17(13-14,21-3)16(20)24-9-2/h10,12-13H,8-9,11H2,1-7H3.
What are the key properties of diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate?
diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate has a molecular weight of 386.52 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate is sourced from PubChem (CID 15093065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).