(E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol

C24H47N2OSn+ — CID 71762146

IUPAC(E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol
SMILESCCCC[Sn](/C=C/C(C)(C)O)(CCCC)CCCCCC[n+]1ccn(CC)c1
InChIInChI=1S/C11H20N2.C5H9O.2C4H9.Sn/c1-3-5-6-7-8-13-10-9-12(4-2)11-13;1-4-5(2,3)6;2*1-3-4-2;/h9-11H,1,3-8H2,2H3;1,4,6H,2-3H3;2*1,3-4H2,2H3;/q+1;;;;
InChIKeyAQOXNBQJZRKGPZ-UHFFFAOYSA-N
MW498.36 g/mol
LogP6.27
Rot. Bonds16

About (E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol

(E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol (PubChem CID 71762146) has the molecular formula C24H47N2OSn+ and a molecular weight of 498.36 g/mol. Its IUPAC name is (E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol
PubChem CID71762146
Molecular FormulaC24H47N2OSn+
Molecular Weight498.36 g/mol
Exact Mass499.27
IUPAC Name(E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol
SMILESCCCC[Sn](/C=C/C(C)(C)O)(CCCC)CCCCCC[n+]1ccn(CC)c1
InChIInChI=1S/C11H20N2.C5H9O.2C4H9.Sn/c1-3-5-6-7-8-13-10-9-12(4-2)11-13;1-4-5(2,3)6;2*1-3-4-2;/h9-11H,1,3-8H2,2H3;1,4,6H,2-3H3;2*1,3-4H2,2H3;/q+1;;;;
InChIKeyAQOXNBQJZRKGPZ-UHFFFAOYSA-N
XLogP6.27
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.36
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol with MolForge

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Related Compounds

dibutyl-chloro-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannane
CID 50993122
1-ethyl-3-nonadecylimidazol-3-ium
CID 87810884
1-ethyl-3-undecylimidazol-3-ium
CID 87807837
[4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]phenyl]methanamine bromide
CID 140799099
1-butyl-3-ethylimidazol-1-ium
CID 10313448
1-octyl-3-prop-2-enylimidazol-1-ium
CID 58704002
4-(3-ethylimidazol-1-ium-1-yl)butanoic acid
CID 101204124
1-tetradecyl-3-[6-(3-tetradecylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 102416106
1-icosyl-3-nonadecylimidazol-3-ium
CID 146315901
1-butyl-3-nonadecylimidazol-3-ium
CID 87809769
1-pentyl-3-tridecylimidazol-1-ium
CID 87806959
1-docosyl-3-octadecylimidazol-1-ium
CID 102417147

Frequently Asked Questions

What is the IUPAC name of (E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol?
The IUPAC name of (E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol (CID 71762146) is (E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol?
The canonical SMILES for (E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol is CCCC[Sn](/C=C/C(C)(C)O)(CCCC)CCCCCC[n+]1ccn(CC)c1.
What is the InChIKey of (E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol?
The InChIKey is AQOXNBQJZRKGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.C5H9O.2C4H9.Sn/c1-3-5-6-7-8-13-10-9-12(4-2)11-13;1-4-5(2,3)6;2*1-3-4-2;/h9-11H,1,3-8H2,2H3;1,4,6H,2-3H3;2*1,3-4H2,2H3;/q+1;;;;.
What are the key properties of (E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol?
(E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol has a molecular weight of 498.36 g/mol, XLogP of 6.27, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[dibutyl-[6-(3-ethylimidazol-1-ium-1-yl)hexyl]stannyl]-2-methylbut-3-en-2-ol is sourced from PubChem (CID 71762146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).