diethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate

C23H42O5SiSn — CID 11731293

IUPACdiethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCC(O[Si](CC)(CC)CC)=CC1/C=C\[Sn](C)(C)C
InChIInChI=1S/C20H33O5Si.3CH3.Sn/c1-7-16-15-17(25-26(10-4,11-5)12-6)13-14-20(16,18(21)23-8-2)19(22)24-9-3;;;;/h1,7,15-16H,8-14H2,2-6H3;3*1H3;
InChIKeyYIIZOCUDZNIQON-UHFFFAOYSA-N
MW545.38 g/mol
LogP5.85
Rot. Bonds11

About diethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate

diethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate (PubChem CID 11731293) has the molecular formula C23H42O5SiSn and a molecular weight of 545.38 g/mol. Its IUPAC name is diethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate
PubChem CID11731293
Molecular FormulaC23H42O5SiSn
Molecular Weight545.38 g/mol
Exact Mass546.18
IUPAC Namediethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CCC(O[Si](CC)(CC)CC)=CC1/C=C\[Sn](C)(C)C
InChIInChI=1S/C20H33O5Si.3CH3.Sn/c1-7-16-15-17(25-26(10-4,11-5)12-6)13-14-20(16,18(21)23-8-2)19(22)24-9-3;;;;/h1,7,15-16H,8-14H2,2-6H3;3*1H3;
InChIKeyYIIZOCUDZNIQON-UHFFFAOYSA-N
XLogP5.85
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.38
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate?
The IUPAC name of diethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate (CID 11731293) is diethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate.
What is the SMILES notation for diethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate?
The canonical SMILES for diethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CCC(O[Si](CC)(CC)CC)=CC1/C=C\[Sn](C)(C)C.
What is the InChIKey of diethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate?
The InChIKey is YIIZOCUDZNIQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33O5Si.3CH3.Sn/c1-7-16-15-17(25-26(10-4,11-5)12-6)13-14-20(16,18(21)23-8-2)19(22)24-9-3;;;;/h1,7,15-16H,8-14H2,2-6H3;3*1H3;.
What are the key properties of diethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate?
diethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate has a molecular weight of 545.38 g/mol, XLogP of 5.85, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-triethylsilyloxy-2-[(Z)-2-trimethylstannylethenyl]cyclohex-3-ene-1,1-dicarboxylate is sourced from PubChem (CID 11731293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).