2-ethylhexyl-hydroxy-oxophosphanium

C8H18O2P+ — CID 22002161

IUPAC2-ethylhexyl-hydroxy-oxophosphanium
SMILESCCCCC(CC)C[P+](=O)O
InChIInChI=1S/C8H17O2P/c1-3-5-6-8(4-2)7-11(9)10/h8H,3-7H2,1-2H3/p+1
InChIKeyNBCCEABOSLXONZ-UHFFFAOYSA-O
MW177.20 g/mol
LogP2.94
Rot. Bonds6

About 2-ethylhexyl-hydroxy-oxophosphanium

2-ethylhexyl-hydroxy-oxophosphanium (PubChem CID 22002161) has the molecular formula C8H18O2P+ and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-ethylhexyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-ethylhexyl-hydroxy-oxophosphanium
PubChem CID22002161
Molecular FormulaC8H18O2P+
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name2-ethylhexyl-hydroxy-oxophosphanium
SMILESCCCCC(CC)C[P+](=O)O
InChIInChI=1S/C8H17O2P/c1-3-5-6-8(4-2)7-11(9)10/h8H,3-7H2,1-2H3/p+1
InChIKeyNBCCEABOSLXONZ-UHFFFAOYSA-O
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium
CID 137377585
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
bis[(2S)-2-ethylhexyl]-oxophosphanium
CID 99690268
bis(2-ethylhexyl)-oxophosphanium;phosphorous acid
CID 174380379
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium
CID 175364038
2-ethylhexan-1-ol;hydron
CID 175010288
2-ethylhexan-1-ol;iron
CID 22477032
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
5-ethylnonane;5-propylnonane
CID 157441807
2-ethylhexyl-(4-methylphenoxy)-oxophosphanium
CID 58805921
2-ethylhexan-1-ol;zirconium;trihydrochloride
CID 173397810

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl-hydroxy-oxophosphanium?
The IUPAC name of 2-ethylhexyl-hydroxy-oxophosphanium (CID 22002161) is 2-ethylhexyl-hydroxy-oxophosphanium.
What is the SMILES notation for 2-ethylhexyl-hydroxy-oxophosphanium?
The canonical SMILES for 2-ethylhexyl-hydroxy-oxophosphanium is CCCCC(CC)C[P+](=O)O.
What is the InChIKey of 2-ethylhexyl-hydroxy-oxophosphanium?
The InChIKey is NBCCEABOSLXONZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17O2P/c1-3-5-6-8(4-2)7-11(9)10/h8H,3-7H2,1-2H3/p+1.
What are the key properties of 2-ethylhexyl-hydroxy-oxophosphanium?
2-ethylhexyl-hydroxy-oxophosphanium has a molecular weight of 177.20 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl-hydroxy-oxophosphanium is sourced from PubChem (CID 22002161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).