ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate

C14H24O4Si — CID 134887610

IUPACethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
SMILESCCOC(=O)C1=CCC(OC)(O[Si](C)(C)C)C=CC1
InChIInChI=1S/C14H24O4Si/c1-6-17-13(15)12-8-7-10-14(16-2,11-9-12)18-19(3,4)5/h7,9-10H,6,8,11H2,1-5H3
InChIKeyFXRJVYJFGJQLOX-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.02
Rot. Bonds5

About ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate

ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate (PubChem CID 134887610) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
PubChem CID134887610
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Nameethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
SMILESCCOC(=O)C1=CCC(OC)(O[Si](C)(C)C)C=CC1
InChIInChI=1S/C14H24O4Si/c1-6-17-13(15)12-8-7-10-14(16-2,11-9-12)18-19(3,4)5/h7,9-10H,6,8,11H2,1-5H3
InChIKeyFXRJVYJFGJQLOX-UHFFFAOYSA-N
XLogP3.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.02
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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Related Compounds

Tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15642677
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 14260361
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
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
Methyl 3,4,5-trimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 15642663
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylpent-2-enoate
CID 60153401
diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate
CID 101412878
Methyl 4,5-dimethoxy-3-methyl-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
CID 134887522
Diethyl cyclohepta-1,3,5-triene-1,3-dicarboxylate
CID 14909373

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The IUPAC name of ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate (CID 134887610) is ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The canonical SMILES for ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate is CCOC(=O)C1=CCC(OC)(O[Si](C)(C)C)C=CC1.
What is the InChIKey of ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The InChIKey is FXRJVYJFGJQLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-6-17-13(15)12-8-7-10-14(16-2,11-9-12)18-19(3,4)5/h7,9-10H,6,8,11H2,1-5H3.
What are the key properties of ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate has a molecular weight of 284.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate is sourced from PubChem (CID 134887610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).