dihydroxy(oxo)phosphanium;tridecan-1-ol

C13H30O4P+ — CID 174863686

IUPACdihydroxy(oxo)phosphanium;tridecan-1-ol
SMILESCCCCCCCCCCCCCO.O=[P+](O)O
InChIInChI=1S/C13H28O.HO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-4(2)3/h14H,2-13H2,1H3;(H-,1,2,3)/p+1
InChIKeyRAWIJZPZUTZBRW-UHFFFAOYSA-O
MW281.35 g/mol
LogP3.92
Rot. Bonds11

About dihydroxy(oxo)phosphanium;tridecan-1-ol

dihydroxy(oxo)phosphanium;tridecan-1-ol (PubChem CID 174863686) has the molecular formula C13H30O4P+ and a molecular weight of 281.35 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;tridecan-1-ol.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;tridecan-1-ol
PubChem CID174863686
Molecular FormulaC13H30O4P+
Molecular Weight281.35 g/mol
Exact Mass281.19
IUPAC Namedihydroxy(oxo)phosphanium;tridecan-1-ol
SMILESCCCCCCCCCCCCCO.O=[P+](O)O
InChIInChI=1S/C13H28O.HO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-4(2)3/h14H,2-13H2,1H3;(H-,1,2,3)/p+1
InChIKeyRAWIJZPZUTZBRW-UHFFFAOYSA-O
XLogP3.92
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.92
H-Bond Donors ≤ 53
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

decan-1-ol;dihydroxy(oxo)phosphanium
CID 162195755
bis(dihydroxy(oxo)phosphanium);pentan-1-ol
CID 88669892
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
undecan-1-ol
CID 122455065
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;tridecan-1-ol?
The IUPAC name of dihydroxy(oxo)phosphanium;tridecan-1-ol (CID 174863686) is dihydroxy(oxo)phosphanium;tridecan-1-ol.
What is the SMILES notation for dihydroxy(oxo)phosphanium;tridecan-1-ol?
The canonical SMILES for dihydroxy(oxo)phosphanium;tridecan-1-ol is CCCCCCCCCCCCCO.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;tridecan-1-ol?
The InChIKey is RAWIJZPZUTZBRW-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H28O.HO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-4(2)3/h14H,2-13H2,1H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;tridecan-1-ol?
dihydroxy(oxo)phosphanium;tridecan-1-ol has a molecular weight of 281.35 g/mol, XLogP of 3.92, 11 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;tridecan-1-ol is sourced from PubChem (CID 174863686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).