dodecoxy-octoxy-oxophosphanium

C20H42O3P+ — CID 154187352

IUPACdodecoxy-octoxy-oxophosphanium
SMILESCCCCCCCCCCCCO[P+](=O)OCCCCCCCC
InChIInChI=1S/C20H42O3P/c1-3-5-7-9-11-12-13-14-16-18-20-23-24(21)22-19-17-15-10-8-6-4-2/h3-20H2,1-2H3/q+1
InChIKeyOOLPFZCRLIMPOP-UHFFFAOYSA-N
MW361.53 g/mol
LogP7.96
Rot. Bonds20

About dodecoxy-octoxy-oxophosphanium

dodecoxy-octoxy-oxophosphanium (PubChem CID 154187352) has the molecular formula C20H42O3P+ and a molecular weight of 361.53 g/mol. Its IUPAC name is dodecoxy-octoxy-oxophosphanium.

Molecular Properties

Compound Namedodecoxy-octoxy-oxophosphanium
PubChem CID154187352
Molecular FormulaC20H42O3P+
Molecular Weight361.53 g/mol
Exact Mass361.29
IUPAC Namedodecoxy-octoxy-oxophosphanium
SMILESCCCCCCCCCCCCO[P+](=O)OCCCCCCCC
InChIInChI=1S/C20H42O3P/c1-3-5-7-9-11-12-13-14-16-18-20-23-24(21)22-19-17-15-10-8-6-4-2/h3-20H2,1-2H3/q+1
InChIKeyOOLPFZCRLIMPOP-UHFFFAOYSA-N
XLogP7.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 57.96
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

dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
butoxy-dodecoxy-oxophosphanium
CID 175103299
dioctoxy(oxo)phosphanium;zinc
CID 175522796
oxo(dipentoxy)phosphanium;zinc
CID 157360735
benzene;dihexoxy(oxo)phosphanium
CID 19391965
ethoxy-hexoxy-oxophosphanium
CID 6329155
ethoxy-oxo-pentoxyphosphanium
CID 86182061
2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium
CID 169075510
2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174865096
heptoxy-oxo-propan-2-yloxyphosphanium
CID 175466874

Frequently Asked Questions

What is the IUPAC name of dodecoxy-octoxy-oxophosphanium?
The IUPAC name of dodecoxy-octoxy-oxophosphanium (CID 154187352) is dodecoxy-octoxy-oxophosphanium.
What is the SMILES notation for dodecoxy-octoxy-oxophosphanium?
The canonical SMILES for dodecoxy-octoxy-oxophosphanium is CCCCCCCCCCCCO[P+](=O)OCCCCCCCC.
What is the InChIKey of dodecoxy-octoxy-oxophosphanium?
The InChIKey is OOLPFZCRLIMPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3P/c1-3-5-7-9-11-12-13-14-16-18-20-23-24(21)22-19-17-15-10-8-6-4-2/h3-20H2,1-2H3/q+1.
What are the key properties of dodecoxy-octoxy-oxophosphanium?
dodecoxy-octoxy-oxophosphanium has a molecular weight of 361.53 g/mol, XLogP of 7.96, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-octoxy-oxophosphanium is sourced from PubChem (CID 154187352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).