2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide

C9H15O6P3 — CID 155323373

IUPAC2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
SMILESC=CCP1(=O)OP(=O)(CC=C)OP(=O)(CC=C)O1
InChIInChI=1S/C9H15O6P3/c1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3/h4-6H,1-3,7-9H2
InChIKeyPCNKXMLZBKUGJH-UHFFFAOYSA-N
MW312.14 g/mol
LogP4.19
Rot. Bonds6

About 2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide

2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide (PubChem CID 155323373) has the molecular formula C9H15O6P3 and a molecular weight of 312.14 g/mol. Its IUPAC name is 2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide.

Molecular Properties

Compound Name2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
PubChem CID155323373
Molecular FormulaC9H15O6P3
Molecular Weight312.14 g/mol
Exact Mass312.01
IUPAC Name2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
SMILESC=CCP1(=O)OP(=O)(CC=C)OP(=O)(CC=C)O1
InChIInChI=1S/C9H15O6P3/c1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3/h4-6H,1-3,7-9H2
InChIKeyPCNKXMLZBKUGJH-UHFFFAOYSA-N
XLogP4.19
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?
The IUPAC name of 2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide (CID 155323373) is 2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide.
What is the SMILES notation for 2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?
The canonical SMILES for 2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide is C=CCP1(=O)OP(=O)(CC=C)OP(=O)(CC=C)O1.
What is the InChIKey of 2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?
The InChIKey is PCNKXMLZBKUGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O6P3/c1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3/h4-6H,1-3,7-9H2.
What are the key properties of 2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide?
2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide has a molecular weight of 312.14 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(prop-2-enyl)-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide is sourced from PubChem (CID 155323373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).