azane;hexoxy-hydroxy-oxophosphanium

C6H17NO3P+ — CID 174618925

IUPACazane;hexoxy-hydroxy-oxophosphanium
SMILESCCCCCCO[P+](=O)O.N
InChIInChI=1S/C6H13O3P.H3N/c1-2-3-4-5-6-9-10(7)8;/h2-6H2,1H3;1H3/p+1
InChIKeyWZJZSVCIUMNMJW-UHFFFAOYSA-O
MW182.18 g/mol
LogP2.39
Rot. Bonds6

About azane;hexoxy-hydroxy-oxophosphanium

azane;hexoxy-hydroxy-oxophosphanium (PubChem CID 174618925) has the molecular formula C6H17NO3P+ and a molecular weight of 182.18 g/mol. Its IUPAC name is azane;hexoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Nameazane;hexoxy-hydroxy-oxophosphanium
PubChem CID174618925
Molecular FormulaC6H17NO3P+
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Nameazane;hexoxy-hydroxy-oxophosphanium
SMILESCCCCCCO[P+](=O)O.N
InChIInChI=1S/C6H13O3P.H3N/c1-2-3-4-5-6-9-10(7)8;/h2-6H2,1H3;1H3/p+1
InChIKeyWZJZSVCIUMNMJW-UHFFFAOYSA-O
XLogP2.39
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
hydride;hydroxy-oxo-pentoxyphosphanium;rubidium(1+)
CID 173073813
CID 131882023
CID 131882023
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dihexadecoxy(oxo)phosphanium
CID 6336657
dioctadecoxy(oxo)phosphanium
CID 6327799
dodecoxy-octoxy-oxophosphanium
CID 154187352
hydroxy-(12-hydroxydodecoxy)-oxophosphanium
CID 172856104
butoxy-dodecoxy-oxophosphanium
CID 175103299
dioctoxy(oxo)phosphanium;zinc
CID 175522796

Frequently Asked Questions

What is the IUPAC name of azane;hexoxy-hydroxy-oxophosphanium?
The IUPAC name of azane;hexoxy-hydroxy-oxophosphanium (CID 174618925) is azane;hexoxy-hydroxy-oxophosphanium.
What is the SMILES notation for azane;hexoxy-hydroxy-oxophosphanium?
The canonical SMILES for azane;hexoxy-hydroxy-oxophosphanium is CCCCCCO[P+](=O)O.N.
What is the InChIKey of azane;hexoxy-hydroxy-oxophosphanium?
The InChIKey is WZJZSVCIUMNMJW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13O3P.H3N/c1-2-3-4-5-6-9-10(7)8;/h2-6H2,1H3;1H3/p+1.
What are the key properties of azane;hexoxy-hydroxy-oxophosphanium?
azane;hexoxy-hydroxy-oxophosphanium has a molecular weight of 182.18 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 174618925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).