didodecoxy(oxo)phosphanium

C24H50O3P+ — CID 6327798

IUPACdidodecoxy(oxo)phosphanium
SMILESCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCC
InChIInChI=1S/C24H50O3P/c1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3/q+1
InChIKeyQBCOASQOMILNBN-UHFFFAOYSA-N
MW417.64 g/mol
LogP9.52
Rot. Bonds24

About didodecoxy(oxo)phosphanium

didodecoxy(oxo)phosphanium (PubChem CID 6327798) has the molecular formula C24H50O3P+ and a molecular weight of 417.64 g/mol. Its IUPAC name is didodecoxy(oxo)phosphanium.

Molecular Properties

Compound Namedidodecoxy(oxo)phosphanium
PubChem CID6327798
Molecular FormulaC24H50O3P+
Molecular Weight417.64 g/mol
Exact Mass417.35
IUPAC Namedidodecoxy(oxo)phosphanium
SMILESCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCC
InChIInChI=1S/C24H50O3P/c1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3/q+1
InChIKeyQBCOASQOMILNBN-UHFFFAOYSA-N
XLogP9.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.64
LogP ≤ 59.52
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 didodecoxy(oxo)phosphanium?
The IUPAC name of didodecoxy(oxo)phosphanium (CID 6327798) is didodecoxy(oxo)phosphanium.
What is the SMILES notation for didodecoxy(oxo)phosphanium?
The canonical SMILES for didodecoxy(oxo)phosphanium is CCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCC.
What is the InChIKey of didodecoxy(oxo)phosphanium?
The InChIKey is QBCOASQOMILNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O3P/c1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3/q+1.
What are the key properties of didodecoxy(oxo)phosphanium?
didodecoxy(oxo)phosphanium has a molecular weight of 417.64 g/mol, XLogP of 9.52, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for didodecoxy(oxo)phosphanium is sourced from PubChem (CID 6327798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).