decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium

C18H40O4P2+2 — CID 175364038

IUPACdecan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium
SMILESCCCCCC(CC)[P+](=O)O.CCCCCC(CCCC)[P+](=O)O
InChIInChI=1S/C10H21O2P.C8H17O2P/c1-3-5-7-9-10(13(11)12)8-6-4-2;1-3-5-6-7-8(4-2)11(9)10/h10H,3-9H2,1-2H3;8H,3-7H2,1-2H3/p+2
InChIKeyRNFILCWERAKEAX-UHFFFAOYSA-P
MW382.46 g/mol
LogP6.94
Rot. Bonds14

About decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium

decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium (PubChem CID 175364038) has the molecular formula C18H40O4P2+2 and a molecular weight of 382.46 g/mol. Its IUPAC name is decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium.

Molecular Properties

Compound Namedecan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium
PubChem CID175364038
Molecular FormulaC18H40O4P2+2
Molecular Weight382.46 g/mol
Exact Mass382.24
IUPAC Namedecan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium
SMILESCCCCCC(CC)[P+](=O)O.CCCCCC(CCCC)[P+](=O)O
InChIInChI=1S/C10H21O2P.C8H17O2P/c1-3-5-7-9-10(13(11)12)8-6-4-2;1-3-5-6-7-8(4-2)11(9)10/h10H,3-9H2,1-2H3;8H,3-7H2,1-2H3/p+2
InChIKeyRNFILCWERAKEAX-UHFFFAOYSA-P
XLogP6.94
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-octan-3-yl-oxophosphanium
CID 20976036
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
2-ethylhexyl-hydroxy-oxophosphanium
CID 22002161
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
butoxy-nonan-5-yl-oxophosphanium
CID 87283149
bis[(2S)-2-ethylhexyl]-oxophosphanium
CID 99690268
hexane;phosphenous acid
CID 21406649
bis(2-ethylhexyl)-oxophosphanium;phosphorous acid
CID 174380379
(4S)-4-ethyldecan-3-one
CID 134895926
3-octan-3-yloxyoctane;phosphoric acid
CID 118002382
5,6-diethyldodecane
CID 90761715

Frequently Asked Questions

What is the IUPAC name of decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium?
The IUPAC name of decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium (CID 175364038) is decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium.
What is the SMILES notation for decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium?
The canonical SMILES for decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium is CCCCCC(CC)[P+](=O)O.CCCCCC(CCCC)[P+](=O)O.
What is the InChIKey of decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium?
The InChIKey is RNFILCWERAKEAX-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H21O2P.C8H17O2P/c1-3-5-7-9-10(13(11)12)8-6-4-2;1-3-5-6-7-8(4-2)11(9)10/h10H,3-9H2,1-2H3;8H,3-7H2,1-2H3/p+2.
What are the key properties of decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium?
decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium has a molecular weight of 382.46 g/mol, XLogP of 6.94, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium is sourced from PubChem (CID 175364038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).