1,4,7,10-tetrazoniacyclododecane tetrachloride

C8H24Cl4N4 — CID 11088422

IUPAC1,4,7,10-tetrazoniacyclododecane tetrachloride
SMILESC1C[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]1.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C8H20N4.4ClH/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;;/h9-12H,1-8H2;4*1H
InChIKeySBWLCGZEBQGYRP-UHFFFAOYSA-N
MW318.12 g/mol
LogP-17.73
Rot. Bonds

About 1,4,7,10-tetrazoniacyclododecane tetrachloride

1,4,7,10-tetrazoniacyclododecane tetrachloride (PubChem CID 11088422) has the molecular formula C8H24Cl4N4 and a molecular weight of 318.12 g/mol. Its IUPAC name is 1,4,7,10-tetrazoniacyclododecane tetrachloride.

Molecular Properties

Compound Name1,4,7,10-tetrazoniacyclododecane tetrachloride
PubChem CID11088422
Molecular FormulaC8H24Cl4N4
Molecular Weight318.12 g/mol
Exact Mass316.08
IUPAC Name1,4,7,10-tetrazoniacyclododecane tetrachloride
SMILESC1C[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]1.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C8H20N4.4ClH/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;;/h9-12H,1-8H2;4*1H
InChIKeySBWLCGZEBQGYRP-UHFFFAOYSA-N
XLogP-17.73
TPSA66.44 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.12
LogP ≤ 5-17.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetrazoniacyclododecane tetrachloride?
The IUPAC name of 1,4,7,10-tetrazoniacyclododecane tetrachloride (CID 11088422) is 1,4,7,10-tetrazoniacyclododecane tetrachloride.
What is the SMILES notation for 1,4,7,10-tetrazoniacyclododecane tetrachloride?
The canonical SMILES for 1,4,7,10-tetrazoniacyclododecane tetrachloride is C1C[NH2+]CC[NH2+]CC[NH2+]CC[NH2+]1.[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of 1,4,7,10-tetrazoniacyclododecane tetrachloride?
The InChIKey is SBWLCGZEBQGYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4.4ClH/c1-2-10-5-6-12-8-7-11-4-3-9-1;;;;/h9-12H,1-8H2;4*1H.
What are the key properties of 1,4,7,10-tetrazoniacyclododecane tetrachloride?
1,4,7,10-tetrazoniacyclododecane tetrachloride has a molecular weight of 318.12 g/mol, XLogP of -17.73, 0 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetrazoniacyclododecane tetrachloride is sourced from PubChem (CID 11088422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).