methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate

C15H26O6Si — CID 15642663

IUPACmethyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
SMILESCOC(=O)C1=CC(OC)C(OC)(O[Si](C)(C)C)C(OC)=CC1
InChIInChI=1S/C15H26O6Si/c1-17-12-9-8-11(14(16)19-3)10-13(18-2)15(12,20-4)21-22(5,6)7/h9-10,13H,8H2,1-7H3
InChIKeyZXOGSJGRTRCFAG-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.23
Rot. Bonds6

About methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate

methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate (PubChem CID 15642663) has the molecular formula C15H26O6Si and a molecular weight of 330.45 g/mol. Its IUPAC name is methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
PubChem CID15642663
Molecular FormulaC15H26O6Si
Molecular Weight330.45 g/mol
Exact Mass330.15
IUPAC Namemethyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
SMILESCOC(=O)C1=CC(OC)C(OC)(O[Si](C)(C)C)C(OC)=CC1
InChIInChI=1S/C15H26O6Si/c1-17-12-9-8-11(14(16)19-3)10-13(18-2)15(12,20-4)21-22(5,6)7/h9-10,13H,8H2,1-7H3
InChIKeyZXOGSJGRTRCFAG-UHFFFAOYSA-N
XLogP2.23
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.23
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'}

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Related Compounds

Tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15642677
Methyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15093068
Diethyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1,3-dicarboxylate
CID 15642655
2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methoxy-2H-furan-5-one
CID 134857738
Methyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 134887522
Ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 134887610
[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-4-yl] butanoate
CID 19389476
[(2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate
CID 102355523

Frequently Asked Questions

What is the IUPAC name of methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The IUPAC name of methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate (CID 15642663) is methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate.
What is the SMILES notation for methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The canonical SMILES for methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate is COC(=O)C1=CC(OC)C(OC)(O[Si](C)(C)C)C(OC)=CC1.
What is the InChIKey of methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The InChIKey is ZXOGSJGRTRCFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6Si/c1-17-12-9-8-11(14(16)19-3)10-13(18-2)15(12,20-4)21-22(5,6)7/h9-10,13H,8H2,1-7H3.
What are the key properties of methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate has a molecular weight of 330.45 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate is sourced from PubChem (CID 15642663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).