prop-1-ynyl trimethylsilyl hydrogen phosphate

C6H13O4PSi — CID 175832895

IUPACprop-1-ynyl trimethylsilyl hydrogen phosphate
SMILESCC#COP(=O)(O)O[Si](C)(C)C
InChIInChI=1S/C6H13O4PSi/c1-5-6-9-11(7,8)10-12(2,3)4/h1-4H3,(H,7,8)
InChIKeyBZTGFALGKWTYMI-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.94
Rot. Bonds3

About prop-1-ynyl trimethylsilyl hydrogen phosphate

prop-1-ynyl trimethylsilyl hydrogen phosphate (PubChem CID 175832895) has the molecular formula C6H13O4PSi and a molecular weight of 208.23 g/mol. Its IUPAC name is prop-1-ynyl trimethylsilyl hydrogen phosphate.

Molecular Properties

Compound Nameprop-1-ynyl trimethylsilyl hydrogen phosphate
PubChem CID175832895
Molecular FormulaC6H13O4PSi
Molecular Weight208.23 g/mol
Exact Mass208.03
IUPAC Nameprop-1-ynyl trimethylsilyl hydrogen phosphate
SMILESCC#COP(=O)(O)O[Si](C)(C)C
InChIInChI=1S/C6H13O4PSi/c1-5-6-9-11(7,8)10-12(2,3)4/h1-4H3,(H,7,8)
InChIKeyBZTGFALGKWTYMI-UHFFFAOYSA-N
XLogP1.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-1-ynyl trimethylsilyl hydrogen phosphate?
The IUPAC name of prop-1-ynyl trimethylsilyl hydrogen phosphate (CID 175832895) is prop-1-ynyl trimethylsilyl hydrogen phosphate.
What is the SMILES notation for prop-1-ynyl trimethylsilyl hydrogen phosphate?
The canonical SMILES for prop-1-ynyl trimethylsilyl hydrogen phosphate is CC#COP(=O)(O)O[Si](C)(C)C.
What is the InChIKey of prop-1-ynyl trimethylsilyl hydrogen phosphate?
The InChIKey is BZTGFALGKWTYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4PSi/c1-5-6-9-11(7,8)10-12(2,3)4/h1-4H3,(H,7,8).
What are the key properties of prop-1-ynyl trimethylsilyl hydrogen phosphate?
prop-1-ynyl trimethylsilyl hydrogen phosphate has a molecular weight of 208.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ynyl trimethylsilyl hydrogen phosphate is sourced from PubChem (CID 175832895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).