bis(prop-2-enyl) 2-trimethylsilyloxybutanedioate

C13H22O5Si — CID 88550420

IUPACbis(prop-2-enyl) 2-trimethylsilyloxybutanedioate
SMILESC=CCOC(=O)CC(O[Si](C)(C)C)C(=O)OCC=C
InChIInChI=1S/C13H22O5Si/c1-6-8-16-12(14)10-11(18-19(3,4)5)13(15)17-9-7-2/h6-7,11H,1-2,8-10H2,3-5H3
InChIKeyLBHKEIVFLKDILU-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.06
Rot. Bonds9

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

bis(prop-2-enyl) 2-trimethylsilyloxybutanedioate (PubChem CID 88550420) has the molecular formula C13H22O5Si and a molecular weight of 286.40 g/mol. Its IUPAC name is bis(prop-2-enyl) 2-trimethylsilyloxybutanedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) 2-trimethylsilyloxybutanedioate
PubChem CID88550420
Molecular FormulaC13H22O5Si
Molecular Weight286.40 g/mol
Exact Mass286.12
IUPAC Namebis(prop-2-enyl) 2-trimethylsilyloxybutanedioate
SMILESC=CCOC(=O)CC(O[Si](C)(C)C)C(=O)OCC=C
InChIInChI=1S/C13H22O5Si/c1-6-8-16-12(14)10-11(18-19(3,4)5)13(15)17-9-7-2/h6-7,11H,1-2,8-10H2,3-5H3
InChIKeyLBHKEIVFLKDILU-UHFFFAOYSA-N
XLogP2.06
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.06
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-trimethylsilyloxybutanedioate?
The IUPAC name of bis(prop-2-enyl) 2-trimethylsilyloxybutanedioate (CID 88550420) is bis(prop-2-enyl) 2-trimethylsilyloxybutanedioate.
What is the SMILES notation for bis(prop-2-enyl) 2-trimethylsilyloxybutanedioate?
The canonical SMILES for bis(prop-2-enyl) 2-trimethylsilyloxybutanedioate is C=CCOC(=O)CC(O[Si](C)(C)C)C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) 2-trimethylsilyloxybutanedioate?
The InChIKey is LBHKEIVFLKDILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5Si/c1-6-8-16-12(14)10-11(18-19(3,4)5)13(15)17-9-7-2/h6-7,11H,1-2,8-10H2,3-5H3.
What are the key properties of bis(prop-2-enyl) 2-trimethylsilyloxybutanedioate?
bis(prop-2-enyl) 2-trimethylsilyloxybutanedioate has a molecular weight of 286.40 g/mol, XLogP of 2.06, 9 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-trimethylsilyloxybutanedioate is sourced from PubChem (CID 88550420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).