5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one

C16H28O5Si — CID 140788501

IUPAC5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
SMILESCCO[Si](OCC)(OCC)C1CC2CC1CC21CCOC1=O
InChIInChI=1S/C16H28O5Si/c1-4-19-22(20-5-2,21-6-3)14-10-13-9-12(14)11-16(13)7-8-18-15(16)17/h12-14H,4-11H2,1-3H3
InChIKeyIRDBNRQYWIVTBP-UHFFFAOYSA-N
MW328.48 g/mol
LogP2.77
Rot. Bonds7

About 5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one

5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one (PubChem CID 140788501) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is 5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one.

Molecular Properties

Compound Name5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
PubChem CID140788501
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one
SMILESCCO[Si](OCC)(OCC)C1CC2CC1CC21CCOC1=O
InChIInChI=1S/C16H28O5Si/c1-4-19-22(20-5-2,21-6-3)14-10-13-9-12(14)11-16(13)7-8-18-15(16)17/h12-14H,4-11H2,1-3H3
InChIKeyIRDBNRQYWIVTBP-UHFFFAOYSA-N
XLogP2.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
The IUPAC name of 5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one (CID 140788501) is 5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one.
What is the SMILES notation for 5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
The canonical SMILES for 5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one is CCO[Si](OCC)(OCC)C1CC2CC1CC21CCOC1=O.
What is the InChIKey of 5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
The InChIKey is IRDBNRQYWIVTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5Si/c1-4-19-22(20-5-2,21-6-3)14-10-13-9-12(14)11-16(13)7-8-18-15(16)17/h12-14H,4-11H2,1-3H3.
What are the key properties of 5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one?
5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one has a molecular weight of 328.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-triethoxysilylspiro[bicyclo[2.2.1]heptane-2,3'-oxolane]-2'-one is sourced from PubChem (CID 140788501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).