3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium

C8H20INO3P+ — CID 122420263

IUPAC3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium
SMILESC[N+](C)(C)CCCP(=O)(O)OCCI
InChIInChI=1S/C8H19INO3P/c1-10(2,3)6-4-8-14(11,12)13-7-5-9/h4-8H2,1-3H3/p+1
InChIKeyWRWGXKFVPKVFFH-UHFFFAOYSA-O
MW336.13 g/mol
LogP1.72
Rot. Bonds7

About 3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium

3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium (PubChem CID 122420263) has the molecular formula C8H20INO3P+ and a molecular weight of 336.13 g/mol. Its IUPAC name is 3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium.

Molecular Properties

Compound Name3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium
PubChem CID122420263
Molecular FormulaC8H20INO3P+
Molecular Weight336.13 g/mol
Exact Mass336.02
IUPAC Name3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium
SMILESC[N+](C)(C)CCCP(=O)(O)OCCI
InChIInChI=1S/C8H19INO3P/c1-10(2,3)6-4-8-14(11,12)13-7-5-9/h4-8H2,1-3H3/p+1
InChIKeyWRWGXKFVPKVFFH-UHFFFAOYSA-O
XLogP1.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[hydroxy(pentadecyl)phosphoryl]oxyethyl-trimethylazanium
CID 135313648
2-[hydroxy(icosyl)phosphoryl]oxyethyl-trimethylazanium
CID 174480376
3-[hydroxy-(2-methoxy-3-octadecoxypropoxy)phosphoryl]propyl-trimethylazanium
CID 88685870
3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium
CID 170122908
hexyl(pentoxy)phosphinic acid
CID 139947056
butyl(decoxy)phosphinic acid
CID 139947140
butyl(hexoxy)phosphinic acid
CID 15271220
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
heptoxy(octadecyl)phosphinic acid
CID 139947141
3-[hydroxy(octadecoxy)phosphoryl]oxypropyl-trimethylazanium
CID 58922759
3-[hexadecoxy(hydroxy)phosphoryl]oxypropyl-trimethylazanium
CID 23641649

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium?
The IUPAC name of 3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium (CID 122420263) is 3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium.
What is the SMILES notation for 3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium?
The canonical SMILES for 3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium is C[N+](C)(C)CCCP(=O)(O)OCCI.
What is the InChIKey of 3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium?
The InChIKey is WRWGXKFVPKVFFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19INO3P/c1-10(2,3)6-4-8-14(11,12)13-7-5-9/h4-8H2,1-3H3/p+1.
What are the key properties of 3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium?
3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium has a molecular weight of 336.13 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(2-iodoethoxy)phosphoryl]propyl-trimethylazanium is sourced from PubChem (CID 122420263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).