bis(3-ethyldecoxy)-oxophosphanium

C24H50O3P+ — CID 175430698

IUPACbis(3-ethyldecoxy)-oxophosphanium
SMILESCCCCCCCC(CC)CCO[P+](=O)OCCC(CC)CCCCCCC
InChIInChI=1S/C24H50O3P/c1-5-9-11-13-15-17-23(7-3)19-21-26-28(25)27-22-20-24(8-4)18-16-14-12-10-6-2/h23-24H,5-22H2,1-4H3/q+1
InChIKeyDLNMNJFXZGGQAC-UHFFFAOYSA-N
MW417.64 g/mol
LogP9.23
Rot. Bonds22

About bis(3-ethyldecoxy)-oxophosphanium

bis(3-ethyldecoxy)-oxophosphanium (PubChem CID 175430698) has the molecular formula C24H50O3P+ and a molecular weight of 417.64 g/mol. Its IUPAC name is bis(3-ethyldecoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(3-ethyldecoxy)-oxophosphanium
PubChem CID175430698
Molecular FormulaC24H50O3P+
Molecular Weight417.64 g/mol
Exact Mass417.35
IUPAC Namebis(3-ethyldecoxy)-oxophosphanium
SMILESCCCCCCCC(CC)CCO[P+](=O)OCCC(CC)CCCCCCC
InChIInChI=1S/C24H50O3P/c1-5-9-11-13-15-17-23(7-3)19-21-26-28(25)27-22-20-24(8-4)18-16-14-12-10-6-2/h23-24H,5-22H2,1-4H3/q+1
InChIKeyDLNMNJFXZGGQAC-UHFFFAOYSA-N
XLogP9.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.64
LogP ≤ 59.23
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

12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
(3R)-3-ethyl-1-methoxynonane
CID 118890071
dihexadecoxy(oxo)phosphanium
CID 6336657
dodecoxy-octoxy-oxophosphanium
CID 154187352
dioctadecoxy(oxo)phosphanium
CID 6327799
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
7-ethyltridecane;methane
CID 158982306
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
dioctoxy(oxo)phosphanium;zinc
CID 175522796

Frequently Asked Questions

What is the IUPAC name of bis(3-ethyldecoxy)-oxophosphanium?
The IUPAC name of bis(3-ethyldecoxy)-oxophosphanium (CID 175430698) is bis(3-ethyldecoxy)-oxophosphanium.
What is the SMILES notation for bis(3-ethyldecoxy)-oxophosphanium?
The canonical SMILES for bis(3-ethyldecoxy)-oxophosphanium is CCCCCCCC(CC)CCO[P+](=O)OCCC(CC)CCCCCCC.
What is the InChIKey of bis(3-ethyldecoxy)-oxophosphanium?
The InChIKey is DLNMNJFXZGGQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O3P/c1-5-9-11-13-15-17-23(7-3)19-21-26-28(25)27-22-20-24(8-4)18-16-14-12-10-6-2/h23-24H,5-22H2,1-4H3/q+1.
What are the key properties of bis(3-ethyldecoxy)-oxophosphanium?
bis(3-ethyldecoxy)-oxophosphanium has a molecular weight of 417.64 g/mol, XLogP of 9.23, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-ethyldecoxy)-oxophosphanium is sourced from PubChem (CID 175430698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).