dihydroxy(oxo)phosphanium;bis(octadecane)

C36H78O3P+ — CID 87485521

IUPACdihydroxy(oxo)phosphanium;bis(octadecane)
SMILESCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC.O=[P+](O)O
InChIInChI=1S/2C18H38.HO3P/c2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-4(2)3/h2*3-18H2,1-2H3;(H-,1,2,3)/p+1
InChIKeyGJTOIGRYCXEICM-UHFFFAOYSA-O
MW589.99 g/mol
LogP14.16
Rot. Bonds30

About dihydroxy(oxo)phosphanium;bis(octadecane)

dihydroxy(oxo)phosphanium;bis(octadecane) (PubChem CID 87485521) has the molecular formula C36H78O3P+ and a molecular weight of 589.99 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;bis(octadecane).

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;bis(octadecane)
PubChem CID87485521
Molecular FormulaC36H78O3P+
Molecular Weight589.99 g/mol
Exact Mass589.57
IUPAC Namedihydroxy(oxo)phosphanium;bis(octadecane)
SMILESCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC.O=[P+](O)O
InChIInChI=1S/2C18H38.HO3P/c2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-4(2)3/h2*3-18H2,1-2H3;(H-,1,2,3)/p+1
InChIKeyGJTOIGRYCXEICM-UHFFFAOYSA-O
XLogP14.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.99
LogP ≤ 514.16
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;dodecane
CID 18620358
benzene;dihydroxy(oxo)phosphanium;bis(nonane)
CID 68789249
dihydroxy(oxo)phosphanium;tridecan-1-ol
CID 174863686
decan-1-ol;dihydroxy(oxo)phosphanium
CID 162195755
bis(dihydroxy(oxo)phosphanium);pentan-1-ol
CID 88669892
hydroxy-methoxy-oxophosphanium;tetradecane
CID 87604776
pentakis(decane);hydroxy-methoxy-oxophosphanium
CID 173118526
dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine
CID 19904990
dihydroxy(oxo)phosphanium;octanoic acid
CID 158603772
hexane;phosphenous acid
CID 21406649
dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+)
CID 158398716
hydroxy-octyl-oxophosphanium;nickel
CID 87136142

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;bis(octadecane)?
The IUPAC name of dihydroxy(oxo)phosphanium;bis(octadecane) (CID 87485521) is dihydroxy(oxo)phosphanium;bis(octadecane).
What is the SMILES notation for dihydroxy(oxo)phosphanium;bis(octadecane)?
The canonical SMILES for dihydroxy(oxo)phosphanium;bis(octadecane) is CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;bis(octadecane)?
The InChIKey is GJTOIGRYCXEICM-UHFFFAOYSA-O. The full InChI is InChI=1S/2C18H38.HO3P/c2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-4(2)3/h2*3-18H2,1-2H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;bis(octadecane)?
dihydroxy(oxo)phosphanium;bis(octadecane) has a molecular weight of 589.99 g/mol, XLogP of 14.16, 30 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;bis(octadecane) is sourced from PubChem (CID 87485521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).