bis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate

C14H20O5Si — CID 88550523

IUPACbis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate
SMILESC#CCOC(=O)CCC(O[Si](C)(C)C)C(=O)OCC#C
InChIInChI=1S/C14H20O5Si/c1-6-10-17-13(15)9-8-12(19-20(3,4)5)14(16)18-11-7-2/h1-2,12H,8-11H2,3-5H3
InChIKeyBDEQDZISCDHCSO-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.34
Rot. Bonds8

About bis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate

bis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate (PubChem CID 88550523) has the molecular formula C14H20O5Si and a molecular weight of 296.39 g/mol. Its IUPAC name is bis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate.

Molecular Properties

Compound Namebis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate
PubChem CID88550523
Molecular FormulaC14H20O5Si
Molecular Weight296.39 g/mol
Exact Mass296.11
IUPAC Namebis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate
SMILESC#CCOC(=O)CCC(O[Si](C)(C)C)C(=O)OCC#C
InChIInChI=1S/C14H20O5Si/c1-6-10-17-13(15)9-8-12(19-20(3,4)5)14(16)18-11-7-2/h1-2,12H,8-11H2,3-5H3
InChIKeyBDEQDZISCDHCSO-UHFFFAOYSA-N
XLogP1.34
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate?
The IUPAC name of bis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate (CID 88550523) is bis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate.
What is the SMILES notation for bis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate?
The canonical SMILES for bis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate is C#CCOC(=O)CCC(O[Si](C)(C)C)C(=O)OCC#C.
What is the InChIKey of bis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate?
The InChIKey is BDEQDZISCDHCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5Si/c1-6-10-17-13(15)9-8-12(19-20(3,4)5)14(16)18-11-7-2/h1-2,12H,8-11H2,3-5H3.
What are the key properties of bis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate?
bis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate has a molecular weight of 296.39 g/mol, XLogP of 1.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-ynyl) 2-trimethylsilyloxypentanedioate is sourced from PubChem (CID 88550523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).