oxo-di(tetradecoxy)phosphanium;tetradecane

C42H88O3P+ — CID 88815459

IUPACoxo-di(tetradecoxy)phosphanium;tetradecane
SMILESCCCCCCCCCCCCCC.CCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C28H58O3P.C14H30/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-32(29)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-28H2,1-2H3;3-14H2,1-2H3/q+1;
InChIKeyVIRZWPHZIJZZFZ-UHFFFAOYSA-N
MW672.14 g/mol
LogP16.79
Rot. Bonds39

About oxo-di(tetradecoxy)phosphanium;tetradecane

oxo-di(tetradecoxy)phosphanium;tetradecane (PubChem CID 88815459) has the molecular formula C42H88O3P+ and a molecular weight of 672.14 g/mol. Its IUPAC name is oxo-di(tetradecoxy)phosphanium;tetradecane.

Molecular Properties

Compound Nameoxo-di(tetradecoxy)phosphanium;tetradecane
PubChem CID88815459
Molecular FormulaC42H88O3P+
Molecular Weight672.14 g/mol
Exact Mass671.65
IUPAC Nameoxo-di(tetradecoxy)phosphanium;tetradecane
SMILESCCCCCCCCCCCCCC.CCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCCC
InChIInChI=1S/C28H58O3P.C14H30/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-32(29)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-28H2,1-2H3;3-14H2,1-2H3/q+1;
InChIKeyVIRZWPHZIJZZFZ-UHFFFAOYSA-N
XLogP16.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds39
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.14
LogP ≤ 516.79
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
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
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 oxo-di(tetradecoxy)phosphanium;tetradecane?
The IUPAC name of oxo-di(tetradecoxy)phosphanium;tetradecane (CID 88815459) is oxo-di(tetradecoxy)phosphanium;tetradecane.
What is the SMILES notation for oxo-di(tetradecoxy)phosphanium;tetradecane?
The canonical SMILES for oxo-di(tetradecoxy)phosphanium;tetradecane is CCCCCCCCCCCCCC.CCCCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCCCC.
What is the InChIKey of oxo-di(tetradecoxy)phosphanium;tetradecane?
The InChIKey is VIRZWPHZIJZZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58O3P.C14H30/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-32(29)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-28H2,1-2H3;3-14H2,1-2H3/q+1;.
What are the key properties of oxo-di(tetradecoxy)phosphanium;tetradecane?
oxo-di(tetradecoxy)phosphanium;tetradecane has a molecular weight of 672.14 g/mol, XLogP of 16.79, 39 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-di(tetradecoxy)phosphanium;tetradecane is sourced from PubChem (CID 88815459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).