pentakis(decane);hydroxy-methoxy-oxophosphanium

C51H114O3P+ — CID 173118526

IUPACpentakis(decane);hydroxy-methoxy-oxophosphanium
SMILESCCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CO[P+](=O)O
InChIInChI=1S/5C10H22.CH3O3P/c5*1-3-5-7-9-10-8-6-4-2;1-4-5(2)3/h5*3-10H2,1-2H3;1H3/p+1
InChIKeyOYMBUHPPDSXHQD-UHFFFAOYSA-O
MW806.44 g/mol
LogP21.02
Rot. Bonds36

About pentakis(decane);hydroxy-methoxy-oxophosphanium

pentakis(decane);hydroxy-methoxy-oxophosphanium (PubChem CID 173118526) has the molecular formula C51H114O3P+ and a molecular weight of 806.44 g/mol. Its IUPAC name is pentakis(decane);hydroxy-methoxy-oxophosphanium.

Molecular Properties

Compound Namepentakis(decane);hydroxy-methoxy-oxophosphanium
PubChem CID173118526
Molecular FormulaC51H114O3P+
Molecular Weight806.44 g/mol
Exact Mass805.85
IUPAC Namepentakis(decane);hydroxy-methoxy-oxophosphanium
SMILESCCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CO[P+](=O)O
InChIInChI=1S/5C10H22.CH3O3P/c5*1-3-5-7-9-10-8-6-4-2;1-4-5(2)3/h5*3-10H2,1-2H3;1H3/p+1
InChIKeyOYMBUHPPDSXHQD-UHFFFAOYSA-O
XLogP21.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds36
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.44
LogP ≤ 521.02
H-Bond Donors ≤ 51
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

hydroxy-methoxy-oxophosphanium;tetradecane
CID 87604776
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
azane;hexoxy-hydroxy-oxophosphanium
CID 174618925
benzene;dihydroxy(oxo)phosphanium;bis(nonane)
CID 68789249
azane;hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;octadecan-1-ol
CID 173412749
dioctoxyphosphoryloxy-hydroxy-oxophosphanium
CID 102018743
decan-1-ol;dihydroxy(oxo)phosphanium
CID 162195755
dihydroxy(oxo)phosphanium;tridecan-1-ol
CID 174863686
ethoxy-hydroxy-oxophosphanium;hexadecan-1-amine
CID 173408938
ethoxy-hydroxy-oxophosphanium;octadecan-1-amine
CID 173408964

Frequently Asked Questions

What is the IUPAC name of pentakis(decane);hydroxy-methoxy-oxophosphanium?
The IUPAC name of pentakis(decane);hydroxy-methoxy-oxophosphanium (CID 173118526) is pentakis(decane);hydroxy-methoxy-oxophosphanium.
What is the SMILES notation for pentakis(decane);hydroxy-methoxy-oxophosphanium?
The canonical SMILES for pentakis(decane);hydroxy-methoxy-oxophosphanium is CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CCCCCCCCCC.CO[P+](=O)O.
What is the InChIKey of pentakis(decane);hydroxy-methoxy-oxophosphanium?
The InChIKey is OYMBUHPPDSXHQD-UHFFFAOYSA-O. The full InChI is InChI=1S/5C10H22.CH3O3P/c5*1-3-5-7-9-10-8-6-4-2;1-4-5(2)3/h5*3-10H2,1-2H3;1H3/p+1.
What are the key properties of pentakis(decane);hydroxy-methoxy-oxophosphanium?
pentakis(decane);hydroxy-methoxy-oxophosphanium has a molecular weight of 806.44 g/mol, XLogP of 21.02, 36 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(decane);hydroxy-methoxy-oxophosphanium is sourced from PubChem (CID 173118526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).