2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium

C16H35NO3P+ — CID 169075510

IUPAC2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium
SMILESCCCCCCCCCCCCO[P+](=O)OCCN(C)C
InChIInChI=1S/C16H35NO3P/c1-4-5-6-7-8-9-10-11-12-13-15-19-21(18)20-16-14-17(2)3/h4-16H2,1-3H3/q+1
InChIKeyLXXDPXNXYDIRGY-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.16
Rot. Bonds16

About 2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium

2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium (PubChem CID 169075510) has the molecular formula C16H35NO3P+ and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium.

Molecular Properties

Compound Name2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium
PubChem CID169075510
Molecular FormulaC16H35NO3P+
Molecular Weight320.43 g/mol
Exact Mass320.23
IUPAC Name2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium
SMILESCCCCCCCCCCCCO[P+](=O)OCCN(C)C
InChIInChI=1S/C16H35NO3P/c1-4-5-6-7-8-9-10-11-12-13-15-19-21(18)20-16-14-17(2)3/h4-16H2,1-3H3/q+1
InChIKeyLXXDPXNXYDIRGY-UHFFFAOYSA-N
XLogP5.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
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
bis[3-(dimethylamino)propoxy]-oxophosphanium
CID 174251326
ethoxy-oxo-pentoxyphosphanium
CID 86182061
bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
CID 87949359

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium?
The IUPAC name of 2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium (CID 169075510) is 2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium.
What is the SMILES notation for 2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium?
The canonical SMILES for 2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium is CCCCCCCCCCCCO[P+](=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium?
The InChIKey is LXXDPXNXYDIRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3P/c1-4-5-6-7-8-9-10-11-12-13-15-19-21(18)20-16-14-17(2)3/h4-16H2,1-3H3/q+1.
What are the key properties of 2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium?
2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium has a molecular weight of 320.43 g/mol, XLogP of 5.16, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium is sourced from PubChem (CID 169075510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).