tetrakis(3-hydroxypropyl)phosphanium chloride

C12H28ClO4P — CID 139252925

IUPACtetrakis(3-hydroxypropyl)phosphanium chloride
SMILESOCCC[P+](CCCO)(CCCO)CCCO.[Cl-]
InChIInChI=1S/C12H28O4P.ClH/c13-5-1-9-17(10-2-6-14,11-3-7-15)12-4-8-16;/h13-16H,1-12H2;1H/q+1;/p-1
InChIKeyCSLFXVXFEBBCLU-UHFFFAOYSA-M
MW302.78 g/mol
LogP-2.46
Rot. Bonds12

About tetrakis(3-hydroxypropyl)phosphanium chloride

tetrakis(3-hydroxypropyl)phosphanium chloride (PubChem CID 139252925) has the molecular formula C12H28ClO4P and a molecular weight of 302.78 g/mol. Its IUPAC name is tetrakis(3-hydroxypropyl)phosphanium chloride.

Molecular Properties

Compound Nametetrakis(3-hydroxypropyl)phosphanium chloride
PubChem CID139252925
Molecular FormulaC12H28ClO4P
Molecular Weight302.78 g/mol
Exact Mass302.14
IUPAC Nametetrakis(3-hydroxypropyl)phosphanium chloride
SMILESOCCC[P+](CCCO)(CCCO)CCCO.[Cl-]
InChIInChI=1S/C12H28O4P.ClH/c13-5-1-9-17(10-2-6-14,11-3-7-15)12-4-8-16;/h13-16H,1-12H2;1H/q+1;/p-1
InChIKeyCSLFXVXFEBBCLU-UHFFFAOYSA-M
XLogP-2.46
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 5-2.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(3-hydroxypropyl)phosphanium chloride?
The IUPAC name of tetrakis(3-hydroxypropyl)phosphanium chloride (CID 139252925) is tetrakis(3-hydroxypropyl)phosphanium chloride.
What is the SMILES notation for tetrakis(3-hydroxypropyl)phosphanium chloride?
The canonical SMILES for tetrakis(3-hydroxypropyl)phosphanium chloride is OCCC[P+](CCCO)(CCCO)CCCO.[Cl-].
What is the InChIKey of tetrakis(3-hydroxypropyl)phosphanium chloride?
The InChIKey is CSLFXVXFEBBCLU-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28O4P.ClH/c13-5-1-9-17(10-2-6-14,11-3-7-15)12-4-8-16;/h13-16H,1-12H2;1H/q+1;/p-1.
What are the key properties of tetrakis(3-hydroxypropyl)phosphanium chloride?
tetrakis(3-hydroxypropyl)phosphanium chloride has a molecular weight of 302.78 g/mol, XLogP of -2.46, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3-hydroxypropyl)phosphanium chloride is sourced from PubChem (CID 139252925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).