tris[(3Z)-penta-1,3-dien-3-yl] phosphate

C15H21O4P — CID 88803675

IUPACtris[(3Z)-penta-1,3-dien-3-yl] phosphate
SMILESC=C/C(=C/C)OP(=O)(O/C(C=C)=C\C)O/C(C=C)=C\C
InChIInChI=1S/C15H21O4P/c1-7-13(8-2)17-20(16,18-14(9-3)10-4)19-15(11-5)12-6/h7-12H,1,3,5H2,2,4,6H3/b13-8-,14-10-,15-12-
InChIKeyGZLTUVJCDQCICD-QBYOBZJJSA-N
MW296.30 g/mol
LogP5.41
Rot. Bonds9

About tris[(3Z)-penta-1,3-dien-3-yl] phosphate

tris[(3Z)-penta-1,3-dien-3-yl] phosphate (PubChem CID 88803675) has the molecular formula C15H21O4P and a molecular weight of 296.30 g/mol. Its IUPAC name is tris[(3Z)-penta-1,3-dien-3-yl] phosphate.

Molecular Properties

Compound Nametris[(3Z)-penta-1,3-dien-3-yl] phosphate
PubChem CID88803675
Molecular FormulaC15H21O4P
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Nametris[(3Z)-penta-1,3-dien-3-yl] phosphate
SMILESC=C/C(=C/C)OP(=O)(O/C(C=C)=C\C)O/C(C=C)=C\C
InChIInChI=1S/C15H21O4P/c1-7-13(8-2)17-20(16,18-14(9-3)10-4)19-15(11-5)12-6/h7-12H,1,3,5H2,2,4,6H3/b13-8-,14-10-,15-12-
InChIKeyGZLTUVJCDQCICD-QBYOBZJJSA-N
XLogP5.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.30
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris[(3Z)-penta-1,3-dien-3-yl] phosphate?
The IUPAC name of tris[(3Z)-penta-1,3-dien-3-yl] phosphate (CID 88803675) is tris[(3Z)-penta-1,3-dien-3-yl] phosphate.
What is the SMILES notation for tris[(3Z)-penta-1,3-dien-3-yl] phosphate?
The canonical SMILES for tris[(3Z)-penta-1,3-dien-3-yl] phosphate is C=C/C(=C/C)OP(=O)(O/C(C=C)=C\C)O/C(C=C)=C\C.
What is the InChIKey of tris[(3Z)-penta-1,3-dien-3-yl] phosphate?
The InChIKey is GZLTUVJCDQCICD-QBYOBZJJSA-N. The full InChI is InChI=1S/C15H21O4P/c1-7-13(8-2)17-20(16,18-14(9-3)10-4)19-15(11-5)12-6/h7-12H,1,3,5H2,2,4,6H3/b13-8-,14-10-,15-12-.
What are the key properties of tris[(3Z)-penta-1,3-dien-3-yl] phosphate?
tris[(3Z)-penta-1,3-dien-3-yl] phosphate has a molecular weight of 296.30 g/mol, XLogP of 5.41, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(3Z)-penta-1,3-dien-3-yl] phosphate is sourced from PubChem (CID 88803675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).