benzene;dihydroxy(oxo)phosphanium;bis(nonane)

C24H48O3P+ — CID 68789249

IUPACbenzene;dihydroxy(oxo)phosphanium;bis(nonane)
SMILESCCCCCCCCC.CCCCCCCCC.O=[P+](O)O.c1ccccc1
InChIInChI=1S/2C9H20.C6H6.HO3P/c2*1-3-5-7-9-8-6-4-2;1-2-4-6-5-3-1;1-4(2)3/h2*3-9H2,1-2H3;1-6H;(H-,1,2,3)/p+1
InChIKeyFABYXEGEUNJFTO-UHFFFAOYSA-O
MW415.62 g/mol
LogP8.83
Rot. Bonds12

About benzene;dihydroxy(oxo)phosphanium;bis(nonane)

benzene;dihydroxy(oxo)phosphanium;bis(nonane) (PubChem CID 68789249) has the molecular formula C24H48O3P+ and a molecular weight of 415.62 g/mol. Its IUPAC name is benzene;dihydroxy(oxo)phosphanium;bis(nonane).

Molecular Properties

Compound Namebenzene;dihydroxy(oxo)phosphanium;bis(nonane)
PubChem CID68789249
Molecular FormulaC24H48O3P+
Molecular Weight415.62 g/mol
Exact Mass415.33
IUPAC Namebenzene;dihydroxy(oxo)phosphanium;bis(nonane)
SMILESCCCCCCCCC.CCCCCCCCC.O=[P+](O)O.c1ccccc1
InChIInChI=1S/2C9H20.C6H6.HO3P/c2*1-3-5-7-9-8-6-4-2;1-2-4-6-5-3-1;1-4(2)3/h2*3-9H2,1-2H3;1-6H;(H-,1,2,3)/p+1
InChIKeyFABYXEGEUNJFTO-UHFFFAOYSA-O
XLogP8.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.62
LogP ≤ 58.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;dodecane
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decan-1-ol;dihydroxy(oxo)phosphanium
CID 162195755
dihydroxy(oxo)phosphanium;tridecan-1-ol
CID 174863686
dihydroxy(oxo)phosphanium;octanoic acid
CID 158603772
dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+)
CID 158398716
dihydroxy(oxo)phosphanium;1,2-dioctylbenzene
CID 67709665
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
CID 69241764
bis(dihydroxy(oxo)phosphanium);pentan-1-ol
CID 88669892
pentakis(decane);hydroxy-methoxy-oxophosphanium
CID 173118526
hydroxy-methoxy-oxophosphanium;tetradecane
CID 87604776
CID 174654761
CID 174654761

Frequently Asked Questions

What is the IUPAC name of benzene;dihydroxy(oxo)phosphanium;bis(nonane)?
The IUPAC name of benzene;dihydroxy(oxo)phosphanium;bis(nonane) (CID 68789249) is benzene;dihydroxy(oxo)phosphanium;bis(nonane).
What is the SMILES notation for benzene;dihydroxy(oxo)phosphanium;bis(nonane)?
The canonical SMILES for benzene;dihydroxy(oxo)phosphanium;bis(nonane) is CCCCCCCCC.CCCCCCCCC.O=[P+](O)O.c1ccccc1.
What is the InChIKey of benzene;dihydroxy(oxo)phosphanium;bis(nonane)?
The InChIKey is FABYXEGEUNJFTO-UHFFFAOYSA-O. The full InChI is InChI=1S/2C9H20.C6H6.HO3P/c2*1-3-5-7-9-8-6-4-2;1-2-4-6-5-3-1;1-4(2)3/h2*3-9H2,1-2H3;1-6H;(H-,1,2,3)/p+1.
What are the key properties of benzene;dihydroxy(oxo)phosphanium;bis(nonane)?
benzene;dihydroxy(oxo)phosphanium;bis(nonane) has a molecular weight of 415.62 g/mol, XLogP of 8.83, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;dihydroxy(oxo)phosphanium;bis(nonane) is sourced from PubChem (CID 68789249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).