methyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate

C19H26O4Si — CID 15093061

IUPACmethyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
SMILESCOC(=O)C1=CC(c2ccccc2)C(OC)(O[Si](C)(C)C)C=CC1
InChIInChI=1S/C19H26O4Si/c1-21-18(20)16-12-9-13-19(22-2,23-24(3,4)5)17(14-16)15-10-7-6-8-11-15/h6-11,13-14,17H,12H2,1-5H3
InChIKeyROPLJLJWSLHKLM-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.02
Rot. Bonds5

About methyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate

methyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate (PubChem CID 15093061) has the molecular formula C19H26O4Si and a molecular weight of 346.50 g/mol. Its IUPAC name is methyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
PubChem CID15093061
Molecular FormulaC19H26O4Si
Molecular Weight346.50 g/mol
Exact Mass346.16
IUPAC Namemethyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
SMILESCOC(=O)C1=CC(c2ccccc2)C(OC)(O[Si](C)(C)C)C=CC1
InChIInChI=1S/C19H26O4Si/c1-21-18(20)16-12-9-13-19(22-2,23-24(3,4)5)17(14-16)15-10-7-6-8-11-15/h6-11,13-14,17H,12H2,1-5H3
InChIKeyROPLJLJWSLHKLM-UHFFFAOYSA-N
XLogP4.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The IUPAC name of methyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate (CID 15093061) is methyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate.
What is the SMILES notation for methyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The canonical SMILES for methyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate is COC(=O)C1=CC(c2ccccc2)C(OC)(O[Si](C)(C)C)C=CC1.
What is the InChIKey of methyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The InChIKey is ROPLJLJWSLHKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O4Si/c1-21-18(20)16-12-9-13-19(22-2,23-24(3,4)5)17(14-16)15-10-7-6-8-11-15/h6-11,13-14,17H,12H2,1-5H3.
What are the key properties of methyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
methyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate has a molecular weight of 346.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate is sourced from PubChem (CID 15093061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).