5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol

C16H28O3Si — CID 123574974

IUPAC5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol
SMILESCC[Si](CC)(CC)OC1CCC2C1=CC1CC(O)C2O1
InChIInChI=1S/C16H28O3Si/c1-4-20(5-2,6-3)19-15-8-7-12-13(15)9-11-10-14(17)16(12)18-11/h9,11-12,14-17H,4-8,10H2,1-3H3
InChIKeyVOMKTQXZOXDSPH-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.25
Rot. Bonds5

About 5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol

5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol (PubChem CID 123574974) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is 5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol.

Molecular Properties

Compound Name5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol
PubChem CID123574974
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol
SMILESCC[Si](CC)(CC)OC1CCC2C1=CC1CC(O)C2O1
InChIInChI=1S/C16H28O3Si/c1-4-20(5-2,6-3)19-15-8-7-12-13(15)9-11-10-14(17)16(12)18-11/h9,11-12,14-17H,4-8,10H2,1-3H3
InChIKeyVOMKTQXZOXDSPH-UHFFFAOYSA-N
XLogP3.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
The IUPAC name of 5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol (CID 123574974) is 5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol.
What is the SMILES notation for 5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
The canonical SMILES for 5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol is CC[Si](CC)(CC)OC1CCC2C1=CC1CC(O)C2O1.
What is the InChIKey of 5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
The InChIKey is VOMKTQXZOXDSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-4-20(5-2,6-3)19-15-8-7-12-13(15)9-11-10-14(17)16(12)18-11/h9,11-12,14-17H,4-8,10H2,1-3H3.
What are the key properties of 5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol?
5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol has a molecular weight of 296.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undec-6-en-10-ol is sourced from PubChem (CID 123574974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).