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

C15H26O5Si — CID 134887522

IUPACmethyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
SMILESCOC(=O)C1=CC(C)C(OC)(O[Si](C)(C)C)C(OC)=CC1
InChIInChI=1S/C15H26O5Si/c1-11-10-12(14(16)18-3)8-9-13(17-2)15(11,19-4)20-21(5,6)7/h9-11H,8H2,1-7H3
InChIKeyNRFRCQXBWCWTJY-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.85
Rot. Bonds5

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

methyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate (PubChem CID 134887522) has the molecular formula C15H26O5Si and a molecular weight of 314.45 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
PubChem CID134887522
Molecular FormulaC15H26O5Si
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Namemethyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
SMILESCOC(=O)C1=CC(C)C(OC)(O[Si](C)(C)C)C(OC)=CC1
InChIInChI=1S/C15H26O5Si/c1-11-10-12(14(16)18-3)8-9-13(17-2)15(11,19-4)20-21(5,6)7/h9-11H,8H2,1-7H3
InChIKeyNRFRCQXBWCWTJY-UHFFFAOYSA-N
XLogP2.85
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
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 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15642663
Ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 134887610

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The IUPAC name of methyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate (CID 134887522) is methyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate.
What is the SMILES notation for methyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The canonical SMILES for methyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate is COC(=O)C1=CC(C)C(OC)(O[Si](C)(C)C)C(OC)=CC1.
What is the InChIKey of methyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The InChIKey is NRFRCQXBWCWTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5Si/c1-11-10-12(14(16)18-3)8-9-13(17-2)15(11,19-4)20-21(5,6)7/h9-11H,8H2,1-7H3.
What are the key properties of methyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
methyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate has a molecular weight of 314.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate is sourced from PubChem (CID 134887522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).