oxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium

C26H50O7P3+3 — CID 90695388

IUPACoxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium
SMILESCCCCCCCCCC=CCCO[P+](=O)O[P+](=O)O[P+](=O)OCCC=CCCCCCCCCC
InChIInChI=1S/C26H50O7P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34(27)32-36(29)33-35(28)31-26-24-22-20-18-16-14-12-10-8-6-4-2/h19-22H,3-18,23-26H2,1-2H3/q+3
InChIKeyQYAKDLLVIFOUQS-UHFFFAOYSA-N
MW567.60 g/mol
LogP11.20
Rot. Bonds28

About oxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium

oxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium (PubChem CID 90695388) has the molecular formula C26H50O7P3+3 and a molecular weight of 567.60 g/mol. Its IUPAC name is oxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium.

Molecular Properties

Compound Nameoxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium
PubChem CID90695388
Molecular FormulaC26H50O7P3+3
Molecular Weight567.60 g/mol
Exact Mass567.28
IUPAC Nameoxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium
SMILESCCCCCCCCCC=CCCO[P+](=O)O[P+](=O)O[P+](=O)OCCC=CCCCCCCCCC
InChIInChI=1S/C26H50O7P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34(27)32-36(29)33-35(28)31-26-24-22-20-18-16-14-12-10-8-6-4-2/h19-22H,3-18,23-26H2,1-2H3/q+3
InChIKeyQYAKDLLVIFOUQS-UHFFFAOYSA-N
XLogP11.20
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.60
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-undec-4-enoxyundec-4-ene
CID 91358832
CID 131882023
CID 131882023
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020

Frequently Asked Questions

What is the IUPAC name of oxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium?
The IUPAC name of oxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium (CID 90695388) is oxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium.
What is the SMILES notation for oxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium?
The canonical SMILES for oxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium is CCCCCCCCCC=CCCO[P+](=O)O[P+](=O)O[P+](=O)OCCC=CCCCCCCCCC.
What is the InChIKey of oxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium?
The InChIKey is QYAKDLLVIFOUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O7P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34(27)32-36(29)33-35(28)31-26-24-22-20-18-16-14-12-10-8-6-4-2/h19-22H,3-18,23-26H2,1-2H3/q+3.
What are the key properties of oxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium?
oxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium has a molecular weight of 567.60 g/mol, XLogP of 11.20, 28 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium is sourced from PubChem (CID 90695388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).