dimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate

C14H34ClNO11 — CID 139079037

IUPACdimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate
SMILESC1COCCOCCOCCOCCOCCO1.C[NH2+]C.O.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C12H24O6.C2H7N.ClHO4.H2O/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-3-2;2-1(3,4)5;/h1-12H2;3H,1-2H3;(H,2,3,4,5);1H2
InChIKeyISJJMWUDNZWJTR-UHFFFAOYSA-N
MW427.88 g/mol
LogP-6.67
Rot. Bonds

About dimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate

dimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate (PubChem CID 139079037) has the molecular formula C14H34ClNO11 and a molecular weight of 427.88 g/mol. Its IUPAC name is dimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate.

Molecular Properties

Compound Namedimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate
PubChem CID139079037
Molecular FormulaC14H34ClNO11
Molecular Weight427.88 g/mol
Exact Mass427.18
IUPAC Namedimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate
SMILESC1COCCOCCOCCOCCOCCO1.C[NH2+]C.O.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C12H24O6.C2H7N.ClHO4.H2O/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-3-2;2-1(3,4)5;/h1-12H2;3H,1-2H3;(H,2,3,4,5);1H2
InChIKeyISJJMWUDNZWJTR-UHFFFAOYSA-N
XLogP-6.67
TPSA195.73 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.88
LogP ≤ 5-6.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

dilithium;tris(1,4,7,10-tetraoxacyclododecane);diperchlorate
CID 139078681
1,4-dioxane
CID 161483686
magnesium;1,4-dioxane;hydride;hydrate
CID 174364272
lithium;1,4-dioxane;hydroxide;hydrate
CID 131723821
argon;1,4-dioxane
CID 87641547
1,4-dioxane;stannane
CID 174822243
1,4-dioxane;silver
CID 157261770
1,4-dioxane;propan-2-ol;hydrate
CID 70303390
butan-1-ol;1,4-dioxane;hydrate
CID 67047509
potassium;1,4-dioxane;hydroxide
CID 70357034
cyclobutane;1,4-dioxane
CID 160886837
dilithium;hydride;1,4,7,10,13-pentaoxacyclopentadecane
CID 173287985

Frequently Asked Questions

What is the IUPAC name of dimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate?
The IUPAC name of dimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate (CID 139079037) is dimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate.
What is the SMILES notation for dimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate?
The canonical SMILES for dimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate is C1COCCOCCOCCOCCOCCO1.C[NH2+]C.O.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of dimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate?
The InChIKey is ISJJMWUDNZWJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6.C2H7N.ClHO4.H2O/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1;1-3-2;2-1(3,4)5;/h1-12H2;3H,1-2H3;(H,2,3,4,5);1H2.
What are the key properties of dimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate?
dimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate has a molecular weight of 427.88 g/mol, XLogP of -6.67, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;1,4,7,10,13,16-hexaoxacyclooctadecane;perchlorate;hydrate is sourced from PubChem (CID 139079037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).