ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium

C11H29NO4P+ — CID 176693760

IUPACethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
SMILESCC.CCCOP(=O)(OC)OCC[N+](C)(C)C
InChIInChI=1S/C9H23NO4P.C2H6/c1-6-8-13-15(11,12-5)14-9-7-10(2,3)4;1-2/h6-9H2,1-5H3;1-2H3/q+1;
InChIKeyKUBGKOWVBHQVSK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.92
Rot. Bonds8

About ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium

ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium (PubChem CID 176693760) has the molecular formula C11H29NO4P+ and a molecular weight of 270.33 g/mol. Its IUPAC name is ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Nameethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
PubChem CID176693760
Molecular FormulaC11H29NO4P+
Molecular Weight270.33 g/mol
Exact Mass270.18
IUPAC Nameethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium
SMILESCC.CCCOP(=O)(OC)OCC[N+](C)(C)C
InChIInChI=1S/C9H23NO4P.C2H6/c1-6-8-13-15(11,12-5)14-9-7-10(2,3)4;1-2/h6-9H2,1-5H3;1-2H3/q+1;
InChIKeyKUBGKOWVBHQVSK-UHFFFAOYSA-N
XLogP2.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
2-[methoxy(2-methoxyethoxy)phosphoryl]oxyethyl-trimethylazanium
CID 174291074
2-[methoxy-[16-[methoxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxyhexadecoxy]phosphoryl]oxyethyl-trimethylazanium
CID 121392301
2-[3-decanoyloxypropoxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 168891190
ethane;2-[hydroxy(methoxy)phosphoryl]oxyethyl-trimethylazanium
CID 176693850
trimethyl-[2-[[propoxy-[2-(trimethylazaniumyl)ethylamino]phosphoryl]amino]ethyl]azanium dibromide
CID 29468
methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine
CID 159899690
hexadecyl-[(1S,2R)-2-[methoxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxycyclopentyl]-dimethylazanium
CID 121392300
2-[2,3-di(octadecanoyloxy)propoxy-methoxyphosphoryl]oxyethyl-trimethylazanium
CID 123521812
2-[[2-butoxy-3-(dodecanoylamino)propoxy]-methoxyphosphoryl]oxyethyl-trimethylazanium
CID 59547823
disodium;2-(trimethylazaniumyl)ethyl phosphate;chloride
CID 171699407
2-[methoxy-(4-methoxycarbonylphenoxy)phosphoryl]oxyethyl-trimethylazanium
CID 130350541

Frequently Asked Questions

What is the IUPAC name of ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium?
The IUPAC name of ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium (CID 176693760) is ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium.
What is the SMILES notation for ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium?
The canonical SMILES for ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium is CC.CCCOP(=O)(OC)OCC[N+](C)(C)C.
What is the InChIKey of ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium?
The InChIKey is KUBGKOWVBHQVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO4P.C2H6/c1-6-8-13-15(11,12-5)14-9-7-10(2,3)4;1-2/h6-9H2,1-5H3;1-2H3/q+1;.
What are the key properties of ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium?
ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium has a molecular weight of 270.33 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[methoxy(propoxy)phosphoryl]oxyethyl-trimethylazanium is sourced from PubChem (CID 176693760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).