octakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate

C20H60Cr8N8O30 — CID 139088358

IUPACoctakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate
SMILESC1C[NH2+]CC[NH2+]CCC[NH2+]CC[NH2+]C1.C1C[NH2+]CC[NH2+]CCC[NH2+]CC[NH2+]C1.O.O.[Cr+6].[Cr+6].[Cr+6].[Cr+6].[Cr+6].[Cr+6].[Cr+6].[Cr+6].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/2C10H24N4.8Cr.2H2O.28O/c2*1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*11-14H,1-10H2;;;;;;;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;8*+6;;;28*-2/p+8
InChIKeyGUOTZKLGNANJQF-UHFFFAOYSA-V
MW1308.69 g/mol
LogP-14.93
Rot. Bonds

About octakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate

octakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate (PubChem CID 139088358) has the molecular formula C20H60Cr8N8O30 and a molecular weight of 1308.69 g/mol. Its IUPAC name is octakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate.

Molecular Properties

Compound Nameoctakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate
PubChem CID139088358
Molecular FormulaC20H60Cr8N8O30
Molecular Weight1308.69 g/mol
Exact Mass1307.87
IUPAC Nameoctakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate
SMILESC1C[NH2+]CC[NH2+]CCC[NH2+]CC[NH2+]C1.C1C[NH2+]CC[NH2+]CCC[NH2+]CC[NH2+]C1.O.O.[Cr+6].[Cr+6].[Cr+6].[Cr+6].[Cr+6].[Cr+6].[Cr+6].[Cr+6].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/2C10H24N4.8Cr.2H2O.28O/c2*1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*11-14H,1-10H2;;;;;;;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;8*+6;;;28*-2/p+8
InChIKeyGUOTZKLGNANJQF-UHFFFAOYSA-V
XLogP-14.93
TPSA993.88 Ų
H-Bond Donors8
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001308.69
LogP ≤ 5-14.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of octakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate?
The IUPAC name of octakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate (CID 139088358) is octakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate.
What is the SMILES notation for octakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate?
The canonical SMILES for octakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate is C1C[NH2+]CC[NH2+]CCC[NH2+]CC[NH2+]C1.C1C[NH2+]CC[NH2+]CCC[NH2+]CC[NH2+]C1.O.O.[Cr+6].[Cr+6].[Cr+6].[Cr+6].[Cr+6].[Cr+6].[Cr+6].[Cr+6].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].
What is the InChIKey of octakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate?
The InChIKey is GUOTZKLGNANJQF-UHFFFAOYSA-V. The full InChI is InChI=1S/2C10H24N4.8Cr.2H2O.28O/c2*1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*11-14H,1-10H2;;;;;;;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;8*+6;;;28*-2/p+8.
What are the key properties of octakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate?
octakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate has a molecular weight of 1308.69 g/mol, XLogP of -14.93, 0 rotatable bonds, 8 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(chromium(6+));(oxygen(2-));bis(1,4,8,11-tetrazoniacyclotetradecane);dihydrate is sourced from PubChem (CID 139088358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).