copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate

C14H32Cl2CuN4O8 — CID 71676779

IUPACcopper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate
SMILESCN1CCCN(C)CCN(C)CCCN(C)CC1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C14H32N4.2ClHO4.Cu/c1-15-7-5-8-17(3)13-14-18(4)10-6-9-16(2)12-11-15;2*2-1(3,4)5;/h5-14H2,1-4H3;2*(H,2,3,4,5);/q;;;+2/p-2
InChIKeyZLSRYJQXYGYFMQ-UHFFFAOYSA-L
MW518.88 g/mol
LogP-9.01
Rot. Bonds

About copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate

copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate (PubChem CID 71676779) has the molecular formula C14H32Cl2CuN4O8 and a molecular weight of 518.88 g/mol. Its IUPAC name is copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate.

Molecular Properties

Compound Namecopper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate
PubChem CID71676779
Molecular FormulaC14H32Cl2CuN4O8
Molecular Weight518.88 g/mol
Exact Mass517.09
IUPAC Namecopper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate
SMILESCN1CCCN(C)CCN(C)CCCN(C)CC1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C14H32N4.2ClHO4.Cu/c1-15-7-5-8-17(3)13-14-18(4)10-6-9-16(2)12-11-15;2*2-1(3,4)5;/h5-14H2,1-4H3;2*(H,2,3,4,5);/q;;;+2/p-2
InChIKeyZLSRYJQXYGYFMQ-UHFFFAOYSA-L
XLogP-9.01
TPSA197.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.88
LogP ≤ 5-9.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate?
The IUPAC name of copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate (CID 71676779) is copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate.
What is the SMILES notation for copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate?
The canonical SMILES for copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate is CN1CCCN(C)CCN(C)CCCN(C)CC1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate?
The InChIKey is ZLSRYJQXYGYFMQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H32N4.2ClHO4.Cu/c1-15-7-5-8-17(3)13-14-18(4)10-6-9-16(2)12-11-15;2*2-1(3,4)5;/h5-14H2,1-4H3;2*(H,2,3,4,5);/q;;;+2/p-2.
What are the key properties of copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate?
copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate has a molecular weight of 518.88 g/mol, XLogP of -9.01, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,4,8,11-tetramethyl-1,4,8,11-tetrazacyclotetradecane;diperchlorate is sourced from PubChem (CID 71676779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).