bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium

C32H66O3P+ — CID 23131996

IUPACbis(5,8-diethyldodecan-6-yloxy)-oxophosphanium
SMILESCCCCC(CC)CC(O[P+](=O)OC(CC(CC)CCCC)C(CC)CCCC)C(CC)CCCC
InChIInChI=1S/C32H66O3P/c1-9-17-21-27(13-5)25-31(29(15-7)23-19-11-3)34-36(33)35-32(30(16-8)24-20-12-4)26-28(14-6)22-18-10-2/h27-32H,9-26H2,1-8H3/q+1
InChIKeyQXQXBBOTWWLFII-UHFFFAOYSA-N
MW529.85 g/mol
LogP12.06
Rot. Bonds26

About bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium

bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium (PubChem CID 23131996) has the molecular formula C32H66O3P+ and a molecular weight of 529.85 g/mol. Its IUPAC name is bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium.

Molecular Properties

Compound Namebis(5,8-diethyldodecan-6-yloxy)-oxophosphanium
PubChem CID23131996
Molecular FormulaC32H66O3P+
Molecular Weight529.85 g/mol
Exact Mass529.47
IUPAC Namebis(5,8-diethyldodecan-6-yloxy)-oxophosphanium
SMILESCCCCC(CC)CC(O[P+](=O)OC(CC(CC)CCCC)C(CC)CCCC)C(CC)CCCC
InChIInChI=1S/C32H66O3P/c1-9-17-21-27(13-5)25-31(29(15-7)23-19-11-3)34-36(33)35-32(30(16-8)24-20-12-4)26-28(14-6)22-18-10-2/h27-32H,9-26H2,1-8H3/q+1
InChIKeyQXQXBBOTWWLFII-UHFFFAOYSA-N
XLogP12.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.85
LogP ≤ 512.06
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

5,8-diethyl-6-(2-ethylhexoxy)dodecane
CID 123215209
5,8-diethyldodecan-6-yl dihydrogen phosphite
CID 21249648
5,8-diethyldodecan-6-yloxy(hydroxymethyl)phosphinic acid
CID 88750018
4-(5,8-diethyldodecan-6-yloxy)-4-oxobut-2-enoic acid
CID 173071338
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
4,5,7-triethylundecane
CID 123222302
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
2-ethylhexyl-hydroxy-oxophosphanium
CID 22002161
(5S)-3,5-diethylnonane;methane
CID 159387669
2-ethylhexoxy-oxo-propan-2-yloxyphosphanium
CID 151079178
bis[(2S)-2-ethylhexyl]-oxophosphanium
CID 99690268
7-ethyl-5-methoxy-4-(methoxymethyl)undecane
CID 150587909

Frequently Asked Questions

What is the IUPAC name of bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium?
The IUPAC name of bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium (CID 23131996) is bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium.
What is the SMILES notation for bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium?
The canonical SMILES for bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium is CCCCC(CC)CC(O[P+](=O)OC(CC(CC)CCCC)C(CC)CCCC)C(CC)CCCC.
What is the InChIKey of bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium?
The InChIKey is QXQXBBOTWWLFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66O3P/c1-9-17-21-27(13-5)25-31(29(15-7)23-19-11-3)34-36(33)35-32(30(16-8)24-20-12-4)26-28(14-6)22-18-10-2/h27-32H,9-26H2,1-8H3/q+1.
What are the key properties of bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium?
bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium has a molecular weight of 529.85 g/mol, XLogP of 12.06, 26 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,8-diethyldodecan-6-yloxy)-oxophosphanium is sourced from PubChem (CID 23131996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).