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

C18H30O7Si — CID 15642655

IUPACdiethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
SMILESCCOC(=O)C1=CC(C(=O)OCC)C(OC)(O[Si](C)(C)C)C(OC)=CC1
InChIInChI=1S/C18H30O7Si/c1-8-23-16(19)13-10-11-15(21-3)18(22-4,25-26(5,6)7)14(12-13)17(20)24-9-2/h11-12,14H,8-10H2,1-7H3
InChIKeyRGKUUFNICVOMDM-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.78
Rot. Bonds8

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

diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate (PubChem CID 15642655) has the molecular formula C18H30O7Si and a molecular weight of 386.52 g/mol. Its IUPAC name is diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
PubChem CID15642655
Molecular FormulaC18H30O7Si
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Namediethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
SMILESCCOC(=O)C1=CC(C(=O)OCC)C(OC)(O[Si](C)(C)C)C(OC)=CC1
InChIInChI=1S/C18H30O7Si/c1-8-23-16(19)13-10-11-15(21-3)18(22-4,25-26(5,6)7)14(12-13)17(20)24-9-2/h11-12,14H,8-10H2,1-7H3
InChIKeyRGKUUFNICVOMDM-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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'}

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Related Compounds

Tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15642677
Diethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
CID 15093060
Diethyl 3,4-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
CID 15093065
Ethyl 3-ethenyl-4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15093069
Methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15642663
Methyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 134887522
ethyl (2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-carboxylate
CID 100997532

Frequently Asked Questions

What is the IUPAC name of diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate?
The IUPAC name of diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate (CID 15642655) is diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate?
The canonical SMILES for diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate is CCOC(=O)C1=CC(C(=O)OCC)C(OC)(O[Si](C)(C)C)C(OC)=CC1.
What is the InChIKey of diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate?
The InChIKey is RGKUUFNICVOMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O7Si/c1-8-23-16(19)13-10-11-15(21-3)18(22-4,25-26(5,6)7)14(12-13)17(20)24-9-2/h11-12,14H,8-10H2,1-7H3.
What are the key properties of diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate?
diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate has a molecular weight of 386.52 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate is sourced from PubChem (CID 15642655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).