phosphorous acid;trimethyl(2-octadecoxyethyl)azanium

C23H53NO4P+ — CID 174575298

IUPACphosphorous acid;trimethyl(2-octadecoxyethyl)azanium
SMILESCCCCCCCCCCCCCCCCCCOCC[N+](C)(C)C.OP(O)O
InChIInChI=1S/C23H50NO.H3O3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24(2,3)4;1-4(2)3/h5-23H2,1-4H3;1-3H/q+1;
InChIKeyOQXCAOLXRHKTPR-UHFFFAOYSA-N
MW438.65 g/mol
LogP6.16
Rot. Bonds20

About phosphorous acid;trimethyl(2-octadecoxyethyl)azanium

phosphorous acid;trimethyl(2-octadecoxyethyl)azanium (PubChem CID 174575298) has the molecular formula C23H53NO4P+ and a molecular weight of 438.65 g/mol. Its IUPAC name is phosphorous acid;trimethyl(2-octadecoxyethyl)azanium.

Molecular Properties

Compound Namephosphorous acid;trimethyl(2-octadecoxyethyl)azanium
PubChem CID174575298
Molecular FormulaC23H53NO4P+
Molecular Weight438.65 g/mol
Exact Mass438.37
IUPAC Namephosphorous acid;trimethyl(2-octadecoxyethyl)azanium
SMILESCCCCCCCCCCCCCCCCCCOCC[N+](C)(C)C.OP(O)O
InChIInChI=1S/C23H50NO.H3O3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24(2,3)4;1-4(2)3/h5-23H2,1-4H3;1-3H/q+1;
InChIKeyOQXCAOLXRHKTPR-UHFFFAOYSA-N
XLogP6.16
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.65
LogP ≤ 56.16
H-Bond Donors ≤ 53
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

trimethyl(2-octoxyethyl)azanium bromide
CID 158985306
prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride
CID 174834513
2-[2-(1-hexadecoxy-2-hydroxypropan-2-yl)oxyethoxy]ethyl-trimethylazanium
CID 88645401
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
2-[(4-hexadecoxy-2-hydroxybutoxy)-hydroxyphosphanyl]oxyethyl-trimethylazanium
CID 19866548

Frequently Asked Questions

What is the IUPAC name of phosphorous acid;trimethyl(2-octadecoxyethyl)azanium?
The IUPAC name of phosphorous acid;trimethyl(2-octadecoxyethyl)azanium (CID 174575298) is phosphorous acid;trimethyl(2-octadecoxyethyl)azanium.
What is the SMILES notation for phosphorous acid;trimethyl(2-octadecoxyethyl)azanium?
The canonical SMILES for phosphorous acid;trimethyl(2-octadecoxyethyl)azanium is CCCCCCCCCCCCCCCCCCOCC[N+](C)(C)C.OP(O)O.
What is the InChIKey of phosphorous acid;trimethyl(2-octadecoxyethyl)azanium?
The InChIKey is OQXCAOLXRHKTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50NO.H3O3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24(2,3)4;1-4(2)3/h5-23H2,1-4H3;1-3H/q+1;.
What are the key properties of phosphorous acid;trimethyl(2-octadecoxyethyl)azanium?
phosphorous acid;trimethyl(2-octadecoxyethyl)azanium has a molecular weight of 438.65 g/mol, XLogP of 6.16, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphorous acid;trimethyl(2-octadecoxyethyl)azanium is sourced from PubChem (CID 174575298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).