2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate

C8H20NO4P — CID 153309185

IUPAC2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate
SMILESCOP(=O)([O-])OCC[N+](C)(C)C(C)C
InChIInChI=1S/C8H20NO4P/c1-8(2)9(3,4)6-7-13-14(10,11)12-5/h8H,6-7H2,1-5H3
InChIKeyDKBMCFIJXBAVDU-UHFFFAOYSA-N
MW225.22 g/mol
LogP0.60
Rot. Bonds6

About 2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate

2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate (PubChem CID 153309185) has the molecular formula C8H20NO4P and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate.

Molecular Properties

Compound Name2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate
PubChem CID153309185
Molecular FormulaC8H20NO4P
Molecular Weight225.22 g/mol
Exact Mass225.11
IUPAC Name2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate
SMILESCOP(=O)([O-])OCC[N+](C)(C)C(C)C
InChIInChI=1S/C8H20NO4P/c1-8(2)9(3,4)6-7-13-14(10,11)12-5/h8H,6-7H2,1-5H3
InChIKeyDKBMCFIJXBAVDU-UHFFFAOYSA-N
XLogP0.60
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.60
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-[dimethyl(propan-2-yl)azaniumyl]ethyl propan-2-yl phosphate
CID 155766203
methyl 2-(trimethylazaniumyl)ethyl phosphate;molecular iodine
CID 159899690
2-methoxyethyl-dimethyl-propan-2-ylazanium
CID 123576136
2-[hydroxy(propan-2-yloxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium
CID 155766204
2-aminoethyl methyl phosphate
CID 59620632
2-bromoethyl methyl phosphate
CID 20702667
prop-2-enyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11535902
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(trimethylazaniumyl)ethyl phosphate
CID 58922621
2-[hydroxy(octadecoxy)phosphoryl]oxyethyl-dimethyl-propan-2-ylazanium
CID 164941050
32-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydotriacontyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11366358
heptyl methyl phosphate
CID 22497569
2-[dimethyl(propan-2-yl)azaniumyl]ethyl sulfate
CID 59400064

Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate?
The IUPAC name of 2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate (CID 153309185) is 2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate.
What is the SMILES notation for 2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate?
The canonical SMILES for 2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate is COP(=O)([O-])OCC[N+](C)(C)C(C)C.
What is the InChIKey of 2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate?
The InChIKey is DKBMCFIJXBAVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO4P/c1-8(2)9(3,4)6-7-13-14(10,11)12-5/h8H,6-7H2,1-5H3.
What are the key properties of 2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate?
2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate has a molecular weight of 225.22 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(propan-2-yl)azaniumyl]ethyl methyl phosphate is sourced from PubChem (CID 153309185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).