dihydroxy(oxo)phosphanium;3-ethylheptane

C9H22O3P+ — CID 88713628

IUPACdihydroxy(oxo)phosphanium;3-ethylheptane
SMILESCCCCC(CC)CC.O=[P+](O)O
InChIInChI=1S/C9H20.HO3P/c1-4-7-8-9(5-2)6-3;1-4(2)3/h9H,4-8H2,1-3H3;(H-,1,2,3)/p+1
InChIKeyQUVHUQYGWMIDFU-UHFFFAOYSA-O
MW209.25 g/mol
LogP3.24
Rot. Bonds5

About dihydroxy(oxo)phosphanium;3-ethylheptane

dihydroxy(oxo)phosphanium;3-ethylheptane (PubChem CID 88713628) has the molecular formula C9H22O3P+ and a molecular weight of 209.25 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;3-ethylheptane.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;3-ethylheptane
PubChem CID88713628
Molecular FormulaC9H22O3P+
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Namedihydroxy(oxo)phosphanium;3-ethylheptane
SMILESCCCCC(CC)CC.O=[P+](O)O
InChIInChI=1S/C9H20.HO3P/c1-4-7-8-9(5-2)6-3;1-4(2)3/h9H,4-8H2,1-3H3;(H-,1,2,3)/p+1
InChIKeyQUVHUQYGWMIDFU-UHFFFAOYSA-O
XLogP3.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexyl-hydroxy-oxophosphanium
CID 22002161
bis[(2S)-2-ethylhexyl]-oxophosphanium
CID 99690268
bis(2-ethylhexyl)-oxophosphanium;phosphorous acid
CID 174380379
(6R,9R)-3,9-diethyltridecan-6-ol
CID 86308442
hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium
CID 137377585
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
3-ethyloctane;propane
CID 143682929
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
2-ethylhexan-1-ol;hydron
CID 175010288
2-ethylhexan-1-ol;iron
CID 22477032

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;3-ethylheptane?
The IUPAC name of dihydroxy(oxo)phosphanium;3-ethylheptane (CID 88713628) is dihydroxy(oxo)phosphanium;3-ethylheptane.
What is the SMILES notation for dihydroxy(oxo)phosphanium;3-ethylheptane?
The canonical SMILES for dihydroxy(oxo)phosphanium;3-ethylheptane is CCCCC(CC)CC.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;3-ethylheptane?
The InChIKey is QUVHUQYGWMIDFU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H20.HO3P/c1-4-7-8-9(5-2)6-3;1-4(2)3/h9H,4-8H2,1-3H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;3-ethylheptane?
dihydroxy(oxo)phosphanium;3-ethylheptane has a molecular weight of 209.25 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;3-ethylheptane is sourced from PubChem (CID 88713628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).