tris(prop-2-enyl) phosphate

C9H15O4P — CID 15390

IUPACtris(prop-2-enyl) phosphate
SMILESC=CCOP(=O)(OCC=C)OCC=C
InChIInChI=1S/C9H15O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-6H,1-3,7-9H2
InChIKeyXHGIFBQQEGRTPB-UHFFFAOYSA-N
MW218.19 g/mol
LogP2.70
Rot. Bonds9

About tris(prop-2-enyl) phosphate

tris(prop-2-enyl) phosphate (PubChem CID 15390) has the molecular formula C9H15O4P and a molecular weight of 218.19 g/mol. Its IUPAC name is tris(prop-2-enyl) phosphate.

Molecular Properties

Compound Nametris(prop-2-enyl) phosphate
PubChem CID15390
Molecular FormulaC9H15O4P
Molecular Weight218.19 g/mol
Exact Mass218.07
IUPAC Nametris(prop-2-enyl) phosphate
SMILESC=CCOP(=O)(OCC=C)OCC=C
InChIInChI=1S/C9H15O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-6H,1-3,7-9H2
InChIKeyXHGIFBQQEGRTPB-UHFFFAOYSA-N
XLogP2.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(prop-2-enyl) phosphate?
The IUPAC name of tris(prop-2-enyl) phosphate (CID 15390) is tris(prop-2-enyl) phosphate.
What is the SMILES notation for tris(prop-2-enyl) phosphate?
The canonical SMILES for tris(prop-2-enyl) phosphate is C=CCOP(=O)(OCC=C)OCC=C.
What is the InChIKey of tris(prop-2-enyl) phosphate?
The InChIKey is XHGIFBQQEGRTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-6H,1-3,7-9H2.
What are the key properties of tris(prop-2-enyl) phosphate?
tris(prop-2-enyl) phosphate has a molecular weight of 218.19 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(prop-2-enyl) phosphate is sourced from PubChem (CID 15390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).