bis[(2S)-2-ethylhexyl]-oxophosphanium

C16H34OP+ — CID 99690268

IUPACbis[(2S)-2-ethylhexyl]-oxophosphanium
SMILESCCCC[C@H](CC)C[P+](=O)C[C@@H](CC)CCCC
InChIInChI=1S/C16H34OP/c1-5-9-11-15(7-3)13-18(17)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/q+1/t15-,16-/m0/s1
InChIKeyRVEOHWDNKQEABU-HOTGVXAUSA-N
MW273.42 g/mol
LogP6.25
Rot. Bonds12

About bis[(2S)-2-ethylhexyl]-oxophosphanium

bis[(2S)-2-ethylhexyl]-oxophosphanium (PubChem CID 99690268) has the molecular formula C16H34OP+ and a molecular weight of 273.42 g/mol. Its IUPAC name is bis[(2S)-2-ethylhexyl]-oxophosphanium.

Molecular Properties

Compound Namebis[(2S)-2-ethylhexyl]-oxophosphanium
PubChem CID99690268
Molecular FormulaC16H34OP+
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Namebis[(2S)-2-ethylhexyl]-oxophosphanium
SMILESCCCC[C@H](CC)C[P+](=O)C[C@@H](CC)CCCC
InChIInChI=1S/C16H34OP/c1-5-9-11-15(7-3)13-18(17)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/q+1/t15-,16-/m0/s1
InChIKeyRVEOHWDNKQEABU-HOTGVXAUSA-N
XLogP6.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.42
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-ethylhexyl)-oxophosphanium;phosphorous acid
CID 174380379
2-ethylhexyl-hydroxy-oxophosphanium
CID 22002161
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
5-ethylnonane;5-propylnonane
CID 157441807
2-ethylhexyl-(4-methylphenoxy)-oxophosphanium
CID 58805921
(5S)-3,5-diethylnonane;methane
CID 159387669
(2S)-2-ethylhexan-1-amine
CID 6999997
hydroxy-[2-(hydroxymethyl)hexyl]-oxophosphanium
CID 137377585
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
3-ethyloctane;propane
CID 143682929

Frequently Asked Questions

What is the IUPAC name of bis[(2S)-2-ethylhexyl]-oxophosphanium?
The IUPAC name of bis[(2S)-2-ethylhexyl]-oxophosphanium (CID 99690268) is bis[(2S)-2-ethylhexyl]-oxophosphanium.
What is the SMILES notation for bis[(2S)-2-ethylhexyl]-oxophosphanium?
The canonical SMILES for bis[(2S)-2-ethylhexyl]-oxophosphanium is CCCC[C@H](CC)C[P+](=O)C[C@@H](CC)CCCC.
What is the InChIKey of bis[(2S)-2-ethylhexyl]-oxophosphanium?
The InChIKey is RVEOHWDNKQEABU-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H34OP/c1-5-9-11-15(7-3)13-18(17)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3/q+1/t15-,16-/m0/s1.
What are the key properties of bis[(2S)-2-ethylhexyl]-oxophosphanium?
bis[(2S)-2-ethylhexyl]-oxophosphanium has a molecular weight of 273.42 g/mol, XLogP of 6.25, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2S)-2-ethylhexyl]-oxophosphanium is sourced from PubChem (CID 99690268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).