bis(prop-2-enyl) 2-triethylsilyloxybutanedioate

C16H28O5Si — CID 88550279

IUPACbis(prop-2-enyl) 2-triethylsilyloxybutanedioate
SMILESC=CCOC(=O)CC(O[Si](CC)(CC)CC)C(=O)OCC=C
InChIInChI=1S/C16H28O5Si/c1-6-11-19-15(17)13-14(16(18)20-12-7-2)21-22(8-3,9-4)10-5/h6-7,14H,1-2,8-13H2,3-5H3
InChIKeyHNMAFEWVOHOLQF-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.23
Rot. Bonds12

About bis(prop-2-enyl) 2-triethylsilyloxybutanedioate

bis(prop-2-enyl) 2-triethylsilyloxybutanedioate (PubChem CID 88550279) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is bis(prop-2-enyl) 2-triethylsilyloxybutanedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) 2-triethylsilyloxybutanedioate
PubChem CID88550279
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Namebis(prop-2-enyl) 2-triethylsilyloxybutanedioate
SMILESC=CCOC(=O)CC(O[Si](CC)(CC)CC)C(=O)OCC=C
InChIInChI=1S/C16H28O5Si/c1-6-11-19-15(17)13-14(16(18)20-12-7-2)21-22(8-3,9-4)10-5/h6-7,14H,1-2,8-13H2,3-5H3
InChIKeyHNMAFEWVOHOLQF-UHFFFAOYSA-N
XLogP3.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 bis(prop-2-enyl) 2-triethylsilyloxybutanedioate?
The IUPAC name of bis(prop-2-enyl) 2-triethylsilyloxybutanedioate (CID 88550279) is bis(prop-2-enyl) 2-triethylsilyloxybutanedioate.
What is the SMILES notation for bis(prop-2-enyl) 2-triethylsilyloxybutanedioate?
The canonical SMILES for bis(prop-2-enyl) 2-triethylsilyloxybutanedioate is C=CCOC(=O)CC(O[Si](CC)(CC)CC)C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) 2-triethylsilyloxybutanedioate?
The InChIKey is HNMAFEWVOHOLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5Si/c1-6-11-19-15(17)13-14(16(18)20-12-7-2)21-22(8-3,9-4)10-5/h6-7,14H,1-2,8-13H2,3-5H3.
What are the key properties of bis(prop-2-enyl) 2-triethylsilyloxybutanedioate?
bis(prop-2-enyl) 2-triethylsilyloxybutanedioate has a molecular weight of 328.48 g/mol, XLogP of 3.23, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 2-triethylsilyloxybutanedioate is sourced from PubChem (CID 88550279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).