2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium

C9H23NO5P+ — CID 174291074

IUPAC2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
SMILESCOCCOP(=O)(OC)OCC[N+](C)(C)C
InChIInChI=1S/C9H23NO5P/c1-10(2,3)6-7-14-16(11,13-5)15-9-8-12-4/h6-9H2,1-5H3/q+1
InChIKeyOFHFCPJEGDPXQN-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.13
Rot. Bonds9

About 2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium

2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium (PubChem CID 174291074) has the molecular formula C9H23NO5P+ and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
PubChem CID174291074
Molecular FormulaC9H23NO5P+
Molecular Weight256.26 g/mol
Exact Mass256.13
IUPAC Name2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
SMILESCOCCOP(=O)(OC)OCC[N+](C)(C)C
InChIInChI=1S/C9H23NO5P/c1-10(2,3)6-7-14-16(11,13-5)15-9-8-12-4/h6-9H2,1-5H3/q+1
InChIKeyOFHFCPJEGDPXQN-UHFFFAOYSA-N
XLogP1.13
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
CID 163641809
ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693760
2-[methoxy-[16-[methoxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxyhexadecoxy]phosphoryl]oxyethyl-trimethylazanium
CID 121392301
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate
CID 58922621
2-[2-(2-methoxyethoxy)ethoxy]ethyl dimethyl phosphate
CID 140898366
2-[3-decanoyloxypropoxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 168891190
ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693850
2-[methoxy-(4-methoxycarbonylphenoxy)phosphoryl]oxyethyl-trimethylazanium
CID 130350541
methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine
CID 159899690
2-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxy-methoxyphosphoryl]oxyethyl-trimethylazanium
CID 147748302
2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
CID 171699407

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium (CID 174291074) is 2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium is COCCOP(=O)(OC)OCC[N+](C)(C)C.
What is the InChIKey of 2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium?
The InChIKey is OFHFCPJEGDPXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO5P/c1-10(2,3)6-7-14-16(11,13-5)15-9-8-12-4/h6-9H2,1-5H3/q+1.
What are the key properties of 2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium?
2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium has a molecular weight of 256.26 g/mol, XLogP of 1.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 174291074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).