di(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium

C33H71NO4P+ — CID 10747321

IUPACdi(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium
SMILESCCCCCCCCCCCCCCOP(=O)(C[N+](C)(C)CCO)OCCCCCCCCCCCCCC
InChIInChI=1S/C33H71NO4P/c1-5-7-9-11-13-15-17-19-21-23-25-27-31-37-39(36,33-34(3,4)29-30-35)38-32-28-26-24-22-20-18-16-14-12-10-8-6-2/h35H,5-33H2,1-4H3/q+1
InChIKeyZSYWBMOVVYIFDI-UHFFFAOYSA-N
MW576.91 g/mol
LogP10.64
Rot. Bonds32

About di(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium

di(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium (PubChem CID 10747321) has the molecular formula C33H71NO4P+ and a molecular weight of 576.91 g/mol. Its IUPAC name is di(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Namedi(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium
PubChem CID10747321
Molecular FormulaC33H71NO4P+
Molecular Weight576.91 g/mol
Exact Mass576.51
IUPAC Namedi(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium
SMILESCCCCCCCCCCCCCCOP(=O)(C[N+](C)(C)CCO)OCCCCCCCCCCCCCC
InChIInChI=1S/C33H71NO4P/c1-5-7-9-11-13-15-17-19-21-23-25-27-31-37-39(36,33-34(3,4)29-30-35)38-32-28-26-24-22-20-18-16-14-12-10-8-6-2/h35H,5-33H2,1-4H3/q+1
InChIKeyZSYWBMOVVYIFDI-UHFFFAOYSA-N
XLogP10.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.91
LogP ≤ 510.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

di(tetradecoxy)phosphorylmethyl-dimethyl-prop-2-enylazanium iodide
CID 10604753
hexadecyl hydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
CID 173035540
trimethyl-[[[(Z)-octadec-9-enoxy]-[(E)-octadec-9-enoxy]phosphoryl]methyl]azanium
CID 10723946
1-[dodecoxy(ethyl)phosphoryl]oxydodecane
CID 154323164
1-[ethyl(octoxy)phosphoryl]oxyoctane
CID 574233
2-hydroxyethyl ditridecyl phosphate
CID 86141691
hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride
CID 11299429
1-didecoxyphosphoryltetradecane
CID 151616748
1-dioctoxyphosphoryldecane
CID 141369437
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-dihexoxyphosphoryltetradecane
CID 151638840
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553

Frequently Asked Questions

What is the IUPAC name of di(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of di(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium (CID 10747321) is di(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for di(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for di(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium is CCCCCCCCCCCCCCOP(=O)(C[N+](C)(C)CCO)OCCCCCCCCCCCCCC.
What is the InChIKey of di(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is ZSYWBMOVVYIFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H71NO4P/c1-5-7-9-11-13-15-17-19-21-23-25-27-31-37-39(36,33-34(3,4)29-30-35)38-32-28-26-24-22-20-18-16-14-12-10-8-6-2/h35H,5-33H2,1-4H3/q+1.
What are the key properties of di(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium?
di(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 576.91 g/mol, XLogP of 10.64, 32 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(tetradecoxy)phosphorylmethyl-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 10747321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).