diethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate

C20H30O4Si — CID 134981869

IUPACdiethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate
SMILESC=C1CCC2=CCC(C(=O)OCC)(C(=O)OCC)CC2=C1[Si](C)(C)C
InChIInChI=1S/C20H30O4Si/c1-7-23-18(21)20(19(22)24-8-2)12-11-15-10-9-14(3)17(16(15)13-20)25(4,5)6/h11H,3,7-10,12-13H2,1-2,4-6H3
InChIKeyCBYJSJMBINODOJ-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.34
Rot. Bonds5

About diethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate

diethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate (PubChem CID 134981869) has the molecular formula C20H30O4Si and a molecular weight of 362.54 g/mol. Its IUPAC name is diethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate
PubChem CID134981869
Molecular FormulaC20H30O4Si
Molecular Weight362.54 g/mol
Exact Mass362.19
IUPAC Namediethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate
SMILESC=C1CCC2=CCC(C(=O)OCC)(C(=O)OCC)CC2=C1[Si](C)(C)C
InChIInChI=1S/C20H30O4Si/c1-7-23-18(21)20(19(22)24-8-2)12-11-15-10-9-14(3)17(16(15)13-20)25(4,5)6/h11H,3,7-10,12-13H2,1-2,4-6H3
InChIKeyCBYJSJMBINODOJ-UHFFFAOYSA-N
XLogP4.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate?
The IUPAC name of diethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate (CID 134981869) is diethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate.
What is the SMILES notation for diethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate?
The canonical SMILES for diethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate is C=C1CCC2=CCC(C(=O)OCC)(C(=O)OCC)CC2=C1[Si](C)(C)C.
What is the InChIKey of diethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate?
The InChIKey is CBYJSJMBINODOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4Si/c1-7-23-18(21)20(19(22)24-8-2)12-11-15-10-9-14(3)17(16(15)13-20)25(4,5)6/h11H,3,7-10,12-13H2,1-2,4-6H3.
What are the key properties of diethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate?
diethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate has a molecular weight of 362.54 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 7-methylidene-8-trimethylsilyl-1,3,5,6-tetrahydronaphthalene-2,2-dicarboxylate is sourced from PubChem (CID 134981869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).