tributyl(hydroxy)phosphanium

C12H28OP+ — CID 6396054

IUPACtributyl(hydroxy)phosphanium
SMILESCCCC[P+](O)(CCCC)CCCC
InChIInChI=1S/C12H28OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h13H,4-12H2,1-3H3/q+1
InChIKeyDFHXADLJBVDIBQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP4.31
Rot. Bonds9

About tributyl(hydroxy)phosphanium

tributyl(hydroxy)phosphanium (PubChem CID 6396054) has the molecular formula C12H28OP+ and a molecular weight of 219.33 g/mol. Its IUPAC name is tributyl(hydroxy)phosphanium.

Molecular Properties

Compound Nametributyl(hydroxy)phosphanium
PubChem CID6396054
Molecular FormulaC12H28OP+
Molecular Weight219.33 g/mol
Exact Mass219.19
IUPAC Nametributyl(hydroxy)phosphanium
SMILESCCCC[P+](O)(CCCC)CCCC
InChIInChI=1S/C12H28OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h13H,4-12H2,1-3H3/q+1
InChIKeyDFHXADLJBVDIBQ-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl(hydroxy)phosphanium?
The IUPAC name of tributyl(hydroxy)phosphanium (CID 6396054) is tributyl(hydroxy)phosphanium.
What is the SMILES notation for tributyl(hydroxy)phosphanium?
The canonical SMILES for tributyl(hydroxy)phosphanium is CCCC[P+](O)(CCCC)CCCC.
What is the InChIKey of tributyl(hydroxy)phosphanium?
The InChIKey is DFHXADLJBVDIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h13H,4-12H2,1-3H3/q+1.
What are the key properties of tributyl(hydroxy)phosphanium?
tributyl(hydroxy)phosphanium has a molecular weight of 219.33 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(hydroxy)phosphanium is sourced from PubChem (CID 6396054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).