tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum

C24H51MoO9P3-6 — CID 18365586

IUPACtris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum
SMILESCCCCC(CC)CP(=O)([O-])[O-].CCCCC(CC)CP(=O)([O-])[O-].CCCCC(CC)CP(=O)([O-])[O-].[Mo]
InChIInChI=1S/3C8H19O3P.Mo/c3*1-3-5-6-8(4-2)7-12(9,10)11;/h3*8H,3-7H2,1-2H3,(H2,9,10,11);/p-6
InChIKeyWXVGPJKPJLOJKO-UHFFFAOYSA-H
MW672.52 g/mol
LogP3.35
Rot. Bonds18

About tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum

tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum (PubChem CID 18365586) has the molecular formula C24H51MoO9P3-6 and a molecular weight of 672.52 g/mol. Its IUPAC name is tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum.

Molecular Properties

Compound Nametris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum
PubChem CID18365586
Molecular FormulaC24H51MoO9P3-6
Molecular Weight672.52 g/mol
Exact Mass674.18
IUPAC Nametris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum
SMILESCCCCC(CC)CP(=O)([O-])[O-].CCCCC(CC)CP(=O)([O-])[O-].CCCCC(CC)CP(=O)([O-])[O-].[Mo]
InChIInChI=1S/3C8H19O3P.Mo/c3*1-3-5-6-8(4-2)7-12(9,10)11;/h3*8H,3-7H2,1-2H3,(H2,9,10,11);/p-6
InChIKeyWXVGPJKPJLOJKO-UHFFFAOYSA-H
XLogP3.35
TPSA189.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.52
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

bis(bis(2-ethylhexyl)phosphinate);chromium(2+)
CID 18626793
3-butylheptyl-dioxido-oxo-λ5-phosphane
CID 53443012
3-(diethoxyphosphorylmethyl)heptane
CID 13197361
tris(cyclohexyl(2-ethylhexyl)phosphinate);iron(3+)
CID 19865296
magnesium bis(2-ethylhexyl) phosphate
CID 23071492
tris(bis(2-ethylhexyl) phosphate);lanthanum(3+)
CID 18461867
bis(2-ethylhexyl) phosphate;cobalt
CID 174438001
potassium;bis(2-ethylhexyl) phosphate;urea
CID 174839333
potassium 2-ethylhexyl hydrogen phosphate
CID 23690393
2-ethylhexylphosphonic acid;hexadecylphosphonic acid
CID 88748715
decylphosphonic acid;2-ethylhexylphosphonic acid
CID 175591377
(2S)-2-ethylhexan-1-amine
CID 6999997

Frequently Asked Questions

What is the IUPAC name of tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum?
The IUPAC name of tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum (CID 18365586) is tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum.
What is the SMILES notation for tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum?
The canonical SMILES for tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum is CCCCC(CC)CP(=O)([O-])[O-].CCCCC(CC)CP(=O)([O-])[O-].CCCCC(CC)CP(=O)([O-])[O-].[Mo].
What is the InChIKey of tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum?
The InChIKey is WXVGPJKPJLOJKO-UHFFFAOYSA-H. The full InChI is InChI=1S/3C8H19O3P.Mo/c3*1-3-5-6-8(4-2)7-12(9,10)11;/h3*8H,3-7H2,1-2H3,(H2,9,10,11);/p-6.
What are the key properties of tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum?
tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum has a molecular weight of 672.52 g/mol, XLogP of 3.35, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-ethylhexyl-dioxido-oxo-λ5-phosphane);molybdenum is sourced from PubChem (CID 18365586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).