oxo-di(tridecoxy)phosphanium

C26H54O3P+ — CID 6327512

IUPACoxo-di(tridecoxy)phosphanium
SMILESCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCC
InChIInChI=1S/C26H54O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3/q+1
InChIKeyACMVLJBSYFHILY-UHFFFAOYSA-N
MW445.69 g/mol
LogP10.30
Rot. Bonds26

About oxo-di(tridecoxy)phosphanium

oxo-di(tridecoxy)phosphanium (PubChem CID 6327512) has the molecular formula C26H54O3P+ and a molecular weight of 445.69 g/mol. Its IUPAC name is oxo-di(tridecoxy)phosphanium.

Molecular Properties

Compound Nameoxo-di(tridecoxy)phosphanium
PubChem CID6327512
Molecular FormulaC26H54O3P+
Molecular Weight445.69 g/mol
Exact Mass445.38
IUPAC Nameoxo-di(tridecoxy)phosphanium
SMILESCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCC
InChIInChI=1S/C26H54O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3/q+1
InChIKeyACMVLJBSYFHILY-UHFFFAOYSA-N
XLogP10.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.69
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Lauryl Phosphate
CID 75816
Myristyl Phosphate
CID 82327
Trilauryl phosphite
CID 76495
Dicetyl Phosphate
CID 75143
Decyl phosphate
CID 62532
Dodecylphosphate
CID 1550836
Hexadecyl phosphate
CID 19059
Monotridecyl phosphate
CID 82161
Dioctyl phosphonate
CID 6328721
Potassium Lauryl Phosphate
CID 11970398
Didodecyl phosphate
CID 23467
Phosphoric acid, trihexyl ester
CID 75666

Frequently Asked Questions

What is the IUPAC name of oxo-di(tridecoxy)phosphanium?
The IUPAC name of oxo-di(tridecoxy)phosphanium (CID 6327512) is oxo-di(tridecoxy)phosphanium.
What is the SMILES notation for oxo-di(tridecoxy)phosphanium?
The canonical SMILES for oxo-di(tridecoxy)phosphanium is CCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCC.
What is the InChIKey of oxo-di(tridecoxy)phosphanium?
The InChIKey is ACMVLJBSYFHILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-30(27)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3/q+1.
What are the key properties of oxo-di(tridecoxy)phosphanium?
oxo-di(tridecoxy)phosphanium has a molecular weight of 445.69 g/mol, XLogP of 10.30, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-di(tridecoxy)phosphanium is sourced from PubChem (CID 6327512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).