tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate

C17H30O5Si — CID 15642677

IUPACtert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
SMILESCOC1=CCC(C(=O)OC(C)(C)C)=CCC1(OC)O[Si](C)(C)C
InChIInChI=1S/C17H30O5Si/c1-16(2,3)21-15(18)13-9-10-14(19-4)17(20-5,12-11-13)22-23(6,7)8/h10-11H,9,12H2,1-8H3
InChIKeyZDDYDOJBLJFGJR-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.77
Rot. Bonds5

About tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate

tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate (PubChem CID 15642677) has the molecular formula C17H30O5Si and a molecular weight of 342.51 g/mol. Its IUPAC name is tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
PubChem CID15642677
Molecular FormulaC17H30O5Si
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Nametert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate
SMILESCOC1=CCC(C(=O)OC(C)(C)C)=CCC1(OC)O[Si](C)(C)C
InChIInChI=1S/C17H30O5Si/c1-16(2,3)21-15(18)13-9-10-14(19-4)17(20-5,12-11-13)22-23(6,7)8/h10-11H,9,12H2,1-8H3
InChIKeyZDDYDOJBLJFGJR-UHFFFAOYSA-N
XLogP3.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.77
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-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
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
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The IUPAC name of tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate (CID 15642677) is tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate.
What is the SMILES notation for tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The canonical SMILES for tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate is COC1=CCC(C(=O)OC(C)(C)C)=CCC1(OC)O[Si](C)(C)C.
What is the InChIKey of tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
The InChIKey is ZDDYDOJBLJFGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O5Si/c1-16(2,3)21-15(18)13-9-10-14(19-4)17(20-5,12-11-13)22-23(6,7)8/h10-11H,9,12H2,1-8H3.
What are the key properties of tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate?
tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate has a molecular weight of 342.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4,5-dimethoxy-4-trimethylsilyloxycyclohepta-1,5-diene-1-carboxylate is sourced from PubChem (CID 15642677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).