butyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium

C16H38O3P2 — CID 159971579

IUPACbutyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium
SMILESCCCCP(=O)([O-])O.CCCC[P+](CC)(CC)CCCC
InChIInChI=1S/C12H28P.C4H11O3P/c1-5-9-11-13(7-3,8-4)12-10-6-2;1-2-3-4-8(5,6)7/h5-12H2,1-4H3;2-4H2,1H3,(H2,5,6,7)/q+1;/p-1
InChIKeyOEPOWIRMOVRETJ-UHFFFAOYSA-M
MW340.43 g/mol
LogP4.98
Rot. Bonds11

About butyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium

butyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium (PubChem CID 159971579) has the molecular formula C16H38O3P2 and a molecular weight of 340.43 g/mol. Its IUPAC name is butyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium.

Molecular Properties

Compound Namebutyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium
PubChem CID159971579
Molecular FormulaC16H38O3P2
Molecular Weight340.43 g/mol
Exact Mass340.23
IUPAC Namebutyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium
SMILESCCCCP(=O)([O-])O.CCCC[P+](CC)(CC)CCCC
InChIInChI=1S/C12H28P.C4H11O3P/c1-5-9-11-13(7-3,8-4)12-10-6-2;1-2-3-4-8(5,6)7/h5-12H2,1-4H3;2-4H2,1H3,(H2,5,6,7)/q+1;/p-1
InChIKeyOEPOWIRMOVRETJ-UHFFFAOYSA-M
XLogP4.98
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butyl-diethyl-hexylphosphanium
CID 87509146
didecyl(diethyl)phosphanium
CID 87777324
diethyl(dihexyl)phosphanium
CID 22000710
dimethyl phosphate;triethyl(octyl)phosphanium
CID 87571418
diethyl-di(tetradecyl)phosphanium bromide
CID 87778577
butyl-ethyl-dioctylphosphanium
CID 87508514
butyl(methyl)phosphinic acid
CID 10909622
tributyl(ethyl)phosphanium;yttrium
CID 157495061
dimethyl phosphate;tributyl(dodecyl)phosphanium
CID 160807591
trizinc;tris(3-methanidylheptane);phosphate
CID 158042505
lanthanum(3+);bis(3-methanidylheptane);phosphate
CID 175484799
triethyl(octyl)phosphanium
CID 18769208

Frequently Asked Questions

What is the IUPAC name of butyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium?
The IUPAC name of butyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium (CID 159971579) is butyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium.
What is the SMILES notation for butyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium?
The canonical SMILES for butyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium is CCCCP(=O)([O-])O.CCCC[P+](CC)(CC)CCCC.
What is the InChIKey of butyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium?
The InChIKey is OEPOWIRMOVRETJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28P.C4H11O3P/c1-5-9-11-13(7-3,8-4)12-10-6-2;1-2-3-4-8(5,6)7/h5-12H2,1-4H3;2-4H2,1H3,(H2,5,6,7)/q+1;/p-1.
What are the key properties of butyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium?
butyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium has a molecular weight of 340.43 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(hydroxy)phosphinate;dibutyl(diethyl)phosphanium is sourced from PubChem (CID 159971579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).