tetrakis(prop-2-ynyl) silicate

C12H12O4Si — CID 12058412

IUPACtetrakis(prop-2-ynyl) silicate
SMILESC#CCO[Si](OCC#C)(OCC#C)OCC#C
InChIInChI=1S/C12H12O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-4H,9-12H2
InChIKeyIDOATDBKZJYDKH-UHFFFAOYSA-N
MW248.31 g/mol
LogP0.02
Rot. Bonds8

About tetrakis(prop-2-ynyl) silicate

tetrakis(prop-2-ynyl) silicate (PubChem CID 12058412) has the molecular formula C12H12O4Si and a molecular weight of 248.31 g/mol. Its IUPAC name is tetrakis(prop-2-ynyl) silicate.

Molecular Properties

Compound Nametetrakis(prop-2-ynyl) silicate
PubChem CID12058412
Molecular FormulaC12H12O4Si
Molecular Weight248.31 g/mol
Exact Mass248.05
IUPAC Nametetrakis(prop-2-ynyl) silicate
SMILESC#CCO[Si](OCC#C)(OCC#C)OCC#C
InChIInChI=1S/C12H12O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-4H,9-12H2
InChIKeyIDOATDBKZJYDKH-UHFFFAOYSA-N
XLogP0.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tetrakis(prop-2-ynyl) silicate?
The IUPAC name of tetrakis(prop-2-ynyl) silicate (CID 12058412) is tetrakis(prop-2-ynyl) silicate.
What is the SMILES notation for tetrakis(prop-2-ynyl) silicate?
The canonical SMILES for tetrakis(prop-2-ynyl) silicate is C#CCO[Si](OCC#C)(OCC#C)OCC#C.
What is the InChIKey of tetrakis(prop-2-ynyl) silicate?
The InChIKey is IDOATDBKZJYDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4Si/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h1-4H,9-12H2.
What are the key properties of tetrakis(prop-2-ynyl) silicate?
tetrakis(prop-2-ynyl) silicate has a molecular weight of 248.31 g/mol, XLogP of 0.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(prop-2-ynyl) silicate is sourced from PubChem (CID 12058412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).