bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium

C16H40N2O6P2+2 — CID 87949359

IUPACbis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
SMILESCCO[P+](=O)OCCCCCCO[P+](=O)OCC.CN(C)C.CN(C)C
InChIInChI=1S/C10H22O6P2.2C3H9N/c1-3-13-17(11)15-9-7-5-6-8-10-16-18(12)14-4-2;2*1-4(2)3/h3-10H2,1-2H3;2*1-3H3/q+2;;
InChIKeyYEQHFYQKBMFRRH-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.32
Rot. Bonds13

About bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium

bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium (PubChem CID 87949359) has the molecular formula C16H40N2O6P2+2 and a molecular weight of 418.45 g/mol. Its IUPAC name is bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium.

Molecular Properties

Compound Namebis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
PubChem CID87949359
Molecular FormulaC16H40N2O6P2+2
Molecular Weight418.45 g/mol
Exact Mass418.24
IUPAC Namebis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium
SMILESCCO[P+](=O)OCCCCCCO[P+](=O)OCC.CN(C)C.CN(C)C
InChIInChI=1S/C10H22O6P2.2C3H9N/c1-3-13-17(11)15-9-7-5-6-8-10-16-18(12)14-4-2;2*1-4(2)3/h3-10H2,1-2H3;2*1-3H3/q+2;;
InChIKeyYEQHFYQKBMFRRH-UHFFFAOYSA-N
XLogP4.32
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

ethoxy-hexoxy-oxophosphanium
CID 6329155
ethoxy-oxo-pentoxyphosphanium
CID 86182061
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
2-(dimethylamino)ethoxy-dodecoxy-oxophosphanium
CID 169075510
CID 157268042
CID 157268042
oxo(dipentoxy)phosphanium;zinc
CID 157360735
benzene;dihexoxy(oxo)phosphanium
CID 19391965

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium?
The IUPAC name of bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium (CID 87949359) is bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium.
What is the SMILES notation for bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium?
The canonical SMILES for bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium is CCO[P+](=O)OCCCCCCO[P+](=O)OCC.CN(C)C.CN(C)C.
What is the InChIKey of bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium?
The InChIKey is YEQHFYQKBMFRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O6P2.2C3H9N/c1-3-13-17(11)15-9-7-5-6-8-10-16-18(12)14-4-2;2*1-4(2)3/h3-10H2,1-2H3;2*1-3H3/q+2;;.
What are the key properties of bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium?
bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium has a molecular weight of 418.45 g/mol, XLogP of 4.32, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylmethanamine);ethoxy-[6-[ethoxy(oxo)phosphaniumyl]oxyhexoxy]-oxophosphanium is sourced from PubChem (CID 87949359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).