nonoxy-oxo-propylphosphanium

C12H26O2P+ — CID 174923561

IUPACnonoxy-oxo-propylphosphanium
SMILESCCCCCCCCCO[P+](=O)CCC
InChIInChI=1S/C12H26O2P/c1-3-5-6-7-8-9-10-11-14-15(13)12-4-2/h3-12H2,1-2H3/q+1
InChIKeyHQOBWTVAGIZBIT-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.91
Rot. Bonds11

About nonoxy-oxo-propylphosphanium

nonoxy-oxo-propylphosphanium (PubChem CID 174923561) has the molecular formula C12H26O2P+ and a molecular weight of 233.31 g/mol. Its IUPAC name is nonoxy-oxo-propylphosphanium.

Molecular Properties

Compound Namenonoxy-oxo-propylphosphanium
PubChem CID174923561
Molecular FormulaC12H26O2P+
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Namenonoxy-oxo-propylphosphanium
SMILESCCCCCCCCCO[P+](=O)CCC
InChIInChI=1S/C12H26O2P/c1-3-5-6-7-8-9-10-11-14-15(13)12-4-2/h3-12H2,1-2H3/q+1
InChIKeyHQOBWTVAGIZBIT-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.91
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

butyl-heptoxy-oxophosphanium
CID 22497580
neodymium;octoxy-octyl-oxophosphanium
CID 174731713
3-aminopropyl-dodecoxy-oxophosphanium
CID 91097507
dodecoxy-octoxy-oxophosphanium
CID 154187352
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dihexadecoxy(oxo)phosphanium
CID 6336657
dioctadecoxy(oxo)phosphanium
CID 6327799
dioctoxy(oxo)phosphanium;zinc
CID 175522796
butoxy-dodecoxy-oxophosphanium
CID 175103299
ethoxy-octyl-oxophosphanium
CID 14512429
bis(dodecoxy-oxido-oxophosphanium);iron(2+)
CID 87602903
oxido-oxo-tetracosoxyphosphanium
CID 57352033

Frequently Asked Questions

What is the IUPAC name of nonoxy-oxo-propylphosphanium?
The IUPAC name of nonoxy-oxo-propylphosphanium (CID 174923561) is nonoxy-oxo-propylphosphanium.
What is the SMILES notation for nonoxy-oxo-propylphosphanium?
The canonical SMILES for nonoxy-oxo-propylphosphanium is CCCCCCCCCO[P+](=O)CCC.
What is the InChIKey of nonoxy-oxo-propylphosphanium?
The InChIKey is HQOBWTVAGIZBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2P/c1-3-5-6-7-8-9-10-11-14-15(13)12-4-2/h3-12H2,1-2H3/q+1.
What are the key properties of nonoxy-oxo-propylphosphanium?
nonoxy-oxo-propylphosphanium has a molecular weight of 233.31 g/mol, XLogP of 4.91, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonoxy-oxo-propylphosphanium is sourced from PubChem (CID 174923561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).