dimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium)

C10H25NO3SY6 — CID 158880837

IUPACdimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium)
SMILESCCCCCS(=O)(=O)[O-].CCC[NH+](C)C.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C5H13N.C5H12O3S.6Y/c1-4-5-6(2)3;1-2-3-4-5-9(6,7)8;;;;;;/h4-5H2,1-3H3;2-5H2,1H3,(H,6,7,8);;;;;;
InChIKeyJCZXQTBLDPXUEY-UHFFFAOYSA-N
MW772.82 g/mol
LogP0.25
Rot. Bonds6

About dimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium)

dimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium) (PubChem CID 158880837) has the molecular formula C10H25NO3SY6 and a molecular weight of 772.82 g/mol. Its IUPAC name is dimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium).

Molecular Properties

Compound Namedimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium)
PubChem CID158880837
Molecular FormulaC10H25NO3SY6
Molecular Weight772.82 g/mol
Exact Mass772.59
IUPAC Namedimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium)
SMILESCCCCCS(=O)(=O)[O-].CCC[NH+](C)C.[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C5H13N.C5H12O3S.6Y/c1-4-5-6(2)3;1-2-3-4-5-9(6,7)8;;;;;;/h4-5H2,1-3H3;2-5H2,1H3,(H,6,7,8);;;;;;
InChIKeyJCZXQTBLDPXUEY-UHFFFAOYSA-N
XLogP0.25
TPSA61.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500772.82
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 21277428
CID 21277428
lithium hexane-1-sulfonate
CID 87141758
cesium hexane-1-sulfonate
CID 141317548
silver pentadecane-1-sulfonate
CID 102573896
silver decane-1-sulfonate
CID 18615614
sodium;pentane-1-sulfonate;hydrate
CID 23693099
tris(dodecane-1-sulfonate);ytterbium(3+)
CID 100979741
aluminum tris(octadecane-1-sulfonate)
CID 158491370
potassium tridecane-1-sulfonate
CID 23711351
sodium dodecane-1-sulfonate
CID 23665726
tris(heptane-1-sulfonate);lanthanum(3+)
CID 163364171
zinc bis(tetradecane-1-sulfonate)
CID 139716467

Frequently Asked Questions

What is the IUPAC name of dimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium)?
The IUPAC name of dimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium) (CID 158880837) is dimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium).
What is the SMILES notation for dimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium)?
The canonical SMILES for dimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium) is CCCCCS(=O)(=O)[O-].CCC[NH+](C)C.[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of dimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium)?
The InChIKey is JCZXQTBLDPXUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C5H12O3S.6Y/c1-4-5-6(2)3;1-2-3-4-5-9(6,7)8;;;;;;/h4-5H2,1-3H3;2-5H2,1H3,(H,6,7,8);;;;;;.
What are the key properties of dimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium)?
dimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium) has a molecular weight of 772.82 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(propyl)azanium;pentane-1-sulfonate;hexakis(yttrium) is sourced from PubChem (CID 158880837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).