tetrakis(1-hydroxybutyl)phosphanium chloride

C16H36ClO4P — CID 87135581

IUPACtetrakis(1-hydroxybutyl)phosphanium chloride
SMILESCCCC(O)[P+](C(O)CCC)(C(O)CCC)C(O)CCC.[Cl-]
InChIInChI=1S/C16H36O4P.ClH/c1-5-9-13(17)21(14(18)10-6-2,15(19)11-7-3)16(20)12-8-4;/h13-20H,5-12H2,1-4H3;1H/q+1;/p-1
InChIKeyHFYJJGQDFKEPGK-UHFFFAOYSA-M
MW358.89 g/mol
LogP0.48
Rot. Bonds12

About tetrakis(1-hydroxybutyl)phosphanium chloride

tetrakis(1-hydroxybutyl)phosphanium chloride (PubChem CID 87135581) has the molecular formula C16H36ClO4P and a molecular weight of 358.89 g/mol. Its IUPAC name is tetrakis(1-hydroxybutyl)phosphanium chloride.

Molecular Properties

Compound Nametetrakis(1-hydroxybutyl)phosphanium chloride
PubChem CID87135581
Molecular FormulaC16H36ClO4P
Molecular Weight358.89 g/mol
Exact Mass358.20
IUPAC Nametetrakis(1-hydroxybutyl)phosphanium chloride
SMILESCCCC(O)[P+](C(O)CCC)(C(O)CCC)C(O)CCC.[Cl-]
InChIInChI=1S/C16H36O4P.ClH/c1-5-9-13(17)21(14(18)10-6-2,15(19)11-7-3)16(20)12-8-4;/h13-20H,5-12H2,1-4H3;1H/q+1;/p-1
InChIKeyHFYJJGQDFKEPGK-UHFFFAOYSA-M
XLogP0.48
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octane-4,5-diol;hydrate
CID 141056272
decane-4,5,6,7-tetrol
CID 73238857
hexane-2,3-diol
CID 159913798
4,8-dipropylundecane-5,7-diol
CID 157462430
butane-1,1-diol;hydrate
CID 87459661
bis(butane-1,1-diol);dihydrochloride
CID 173010024
butane;butane-1,1-diol
CID 87427051
(2R)-pentan-2-ol
CID 7014876
(3R,4S)-4-hydroxy-3-methylheptan-2-one
CID 13172578
3-methoxyheptan-4-ol
CID 54045994
(2S,3S)-2-aminohexan-3-ol
CID 55285025
(4R)-4-methylheptan-3-ol
CID 12799251

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-hydroxybutyl)phosphanium chloride?
The IUPAC name of tetrakis(1-hydroxybutyl)phosphanium chloride (CID 87135581) is tetrakis(1-hydroxybutyl)phosphanium chloride.
What is the SMILES notation for tetrakis(1-hydroxybutyl)phosphanium chloride?
The canonical SMILES for tetrakis(1-hydroxybutyl)phosphanium chloride is CCCC(O)[P+](C(O)CCC)(C(O)CCC)C(O)CCC.[Cl-].
What is the InChIKey of tetrakis(1-hydroxybutyl)phosphanium chloride?
The InChIKey is HFYJJGQDFKEPGK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36O4P.ClH/c1-5-9-13(17)21(14(18)10-6-2,15(19)11-7-3)16(20)12-8-4;/h13-20H,5-12H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tetrakis(1-hydroxybutyl)phosphanium chloride?
tetrakis(1-hydroxybutyl)phosphanium chloride has a molecular weight of 358.89 g/mol, XLogP of 0.48, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-hydroxybutyl)phosphanium chloride is sourced from PubChem (CID 87135581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).