ethoxy-octyl-oxophosphanium

C10H22O2P+ — CID 14512429

IUPACethoxy-octyl-oxophosphanium
SMILESCCCCCCCC[P+](=O)OCC
InChIInChI=1S/C10H22O2P/c1-3-5-6-7-8-9-10-13(11)12-4-2/h3-10H2,1-2H3/q+1
InChIKeyCVCLUJRFRCRRSD-UHFFFAOYSA-N
MW205.26 g/mol
LogP4.13
Rot. Bonds9

About ethoxy-octyl-oxophosphanium

ethoxy-octyl-oxophosphanium (PubChem CID 14512429) has the molecular formula C10H22O2P+ and a molecular weight of 205.26 g/mol. Its IUPAC name is ethoxy-octyl-oxophosphanium.

Molecular Properties

Compound Nameethoxy-octyl-oxophosphanium
PubChem CID14512429
Molecular FormulaC10H22O2P+
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Nameethoxy-octyl-oxophosphanium
SMILESCCCCCCCC[P+](=O)OCC
InChIInChI=1S/C10H22O2P/c1-3-5-6-7-8-9-10-13(11)12-4-2/h3-10H2,1-2H3/q+1
InChIKeyCVCLUJRFRCRRSD-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

neodymium;octoxy-octyl-oxophosphanium
CID 174731713
butyl-heptoxy-oxophosphanium
CID 22497580
hexyl-(2-methylpropoxy)-oxophosphanium
CID 88827543
3-aminopropyl-dodecoxy-oxophosphanium
CID 91097507
2-[dodecyl(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 20977395
nonoxy-oxo-propylphosphanium
CID 174923561
ethenoxy-octyl-oxophosphanium
CID 175403596
ethoxy-oxo-pent-4-enylphosphanium
CID 56996522
ethoxy-hexoxy-oxophosphanium
CID 6329155
ethoxy-oct-1-en-2-yl-oxophosphanium
CID 11816552
ethoxy-hydroxy-oxophosphanium;hexadecan-1-amine
CID 173408938
ethoxy-hydroxy-oxophosphanium;octadecan-1-amine
CID 173408964

Frequently Asked Questions

What is the IUPAC name of ethoxy-octyl-oxophosphanium?
The IUPAC name of ethoxy-octyl-oxophosphanium (CID 14512429) is ethoxy-octyl-oxophosphanium.
What is the SMILES notation for ethoxy-octyl-oxophosphanium?
The canonical SMILES for ethoxy-octyl-oxophosphanium is CCCCCCCC[P+](=O)OCC.
What is the InChIKey of ethoxy-octyl-oxophosphanium?
The InChIKey is CVCLUJRFRCRRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2P/c1-3-5-6-7-8-9-10-13(11)12-4-2/h3-10H2,1-2H3/q+1.
What are the key properties of ethoxy-octyl-oxophosphanium?
ethoxy-octyl-oxophosphanium has a molecular weight of 205.26 g/mol, XLogP of 4.13, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-octyl-oxophosphanium is sourced from PubChem (CID 14512429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).