[2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium

C6H14O4P2+2 — CID 91112345

IUPAC[2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium
SMILESCCC(CC)(C[P+](=O)O)[P+](=O)O
InChIInChI=1S/C6H12O4P2/c1-3-6(4-2,12(9)10)5-11(7)8/h3-5H2,1-2H3/p+2
InChIKeyLBGIVYZDAMXGFO-UHFFFAOYSA-P
MW212.12 g/mol
LogP2.01
Rot. Bonds5

About [2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium

[2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium (PubChem CID 91112345) has the molecular formula C6H14O4P2+2 and a molecular weight of 212.12 g/mol. Its IUPAC name is [2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium
PubChem CID91112345
Molecular FormulaC6H14O4P2+2
Molecular Weight212.12 g/mol
Exact Mass212.04
IUPAC Name[2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium
SMILESCCC(CC)(C[P+](=O)O)[P+](=O)O
InChIInChI=1S/C6H12O4P2/c1-3-6(4-2,12(9)10)5-11(7)8/h3-5H2,1-2H3/p+2
InChIKeyLBGIVYZDAMXGFO-UHFFFAOYSA-P
XLogP2.01
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropyl-hydroxy-oxophosphanium
CID 89268152
(2-ethyl-2-hydroxyhexyl)-hydroxy-oxophosphanium
CID 175225306
ethyl-hydroxy-oxophosphanium;dihydrochloride
CID 88745268
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
calcium;ethyl-hydroxy-oxophosphanium;hydride
CID 174736026
3-bromo-3-methylpentane;dihydroxy(oxo)phosphanium
CID 159355693
dihydroxy(oxo)phosphanium;2-methylbutane
CID 87211582
hydroxy-oxo-propylphosphanium;zinc
CID 87094262
disodium;ethyl-hydroxy-oxophosphanium;hydride;phosphorous acid
CID 175581483
lithium;dihydroxy(oxo)phosphanium;methanidyloxyethane
CID 175392491
3-chloropentan-3-yloxy-hydroxy-oxophosphanium
CID 87677652
phosphenous acid;propane
CID 19090860

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium?
The IUPAC name of [2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium (CID 91112345) is [2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium?
The canonical SMILES for [2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium is CCC(CC)(C[P+](=O)O)[P+](=O)O.
What is the InChIKey of [2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium?
The InChIKey is LBGIVYZDAMXGFO-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H12O4P2/c1-3-6(4-2,12(9)10)5-11(7)8/h3-5H2,1-2H3/p+2.
What are the key properties of [2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium?
[2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium has a molecular weight of 212.12 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-2-[hydroxy(oxo)phosphaniumyl]butyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 91112345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).