[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium

C16H34O3P+ — CID 93476742

IUPAC[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
SMILESCCCC[C@@H](CC)CO[P+](=O)OC[C@@H](CC)CCCC
InChIInChI=1S/C16H34O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/q+1/t15-,16+
InChIKeyZLMKQJQJURXYLC-IYBDPMFKSA-N
MW305.42 g/mol
LogP6.11
Rot. Bonds14

About [(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium

[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium (PubChem CID 93476742) has the molecular formula C16H34O3P+ and a molecular weight of 305.42 g/mol. Its IUPAC name is [(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium.

Molecular Properties

Compound Name[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
PubChem CID93476742
Molecular FormulaC16H34O3P+
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Name[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
SMILESCCCC[C@@H](CC)CO[P+](=O)OC[C@@H](CC)CCCC
InChIInChI=1S/C16H34O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/q+1/t15-,16+
InChIKeyZLMKQJQJURXYLC-IYBDPMFKSA-N
XLogP6.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexoxy-oxo-propan-2-yloxyphosphanium
CID 151079178
2-ethylhexoxy-heptan-2-yloxy-oxophosphanium;neodymium
CID 161169213
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
bis(3-ethyldecoxy)-oxophosphanium
CID 175430698
2-ethylhexoxy-(3-methylheptan-3-yl)-oxophosphanium
CID 87593586
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-ethylhexoxy-hydroxy-oxophosphanium
CID 87433406
2-ethylhexoxy-[2-(octadecylamino)ethyl]-oxophosphanium
CID 174355767
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
bis[2-(2-ethylhexylimino)ethoxy]-oxophosphanium
CID 88718680
[(2R)-2-ethylhexyl] hydrogen sulfate
CID 5496779

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium?
The IUPAC name of [(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium (CID 93476742) is [(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium.
What is the SMILES notation for [(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium?
The canonical SMILES for [(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium is CCCC[C@@H](CC)CO[P+](=O)OC[C@@H](CC)CCCC.
What is the InChIKey of [(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium?
The InChIKey is ZLMKQJQJURXYLC-IYBDPMFKSA-N. The full InChI is InChI=1S/C16H34O3P/c1-5-9-11-15(7-3)13-18-20(17)19-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/q+1/t15-,16+.
What are the key properties of [(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium?
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium has a molecular weight of 305.42 g/mol, XLogP of 6.11, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium is sourced from PubChem (CID 93476742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).