carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane

C96H198N6 — CID 158563052

IUPACcarbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane
SMILESCC1CC(C)C(C)C(C)[N+]2(CCCCC2)C1.CC1CC(C)C(C)[N+]2(CCCCC2)C(C)C1.CC1CC(C)C(C)[N+]2(CCCCC2)CC1C.CC1CC(C)[N+]2(CCCCC2)CC(C)C1C.CC1CCC(C)[N+]2(CCCCC2)C(C)C1C.CC1C[N+]2(CCCCC2)CC(C)C(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/6C15H30N.6CH3/c1-12-8-9-13(2)16(15(4)14(12)3)10-6-5-7-11-16;1-12-10-16(8-6-5-7-9-16)11-13(2)15(4)14(12)3;1-12-10-14(3)16(8-6-5-7-9-16)11-13(2)15(12)4;1-12-10-13(2)15(4)16(11-14(12)3)8-6-5-7-9-16;1-12-10-13(2)14(3)15(4)16(11-12)8-6-5-7-9-16;1-12-10-13(2)15(4)16(14(3)11-12)8-6-5-7-9-16;;;;;;/h6*12-15H,5-11H2,1-4H3;6*1H3/q6*+1;6*-1
InChIKeyJMYOZAOUAQUTDA-UHFFFAOYSA-N
MW1436.68 g/mol
LogP24.97
Rot. Bonds

About carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane

carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane (PubChem CID 158563052) has the molecular formula C96H198N6 and a molecular weight of 1436.68 g/mol. Its IUPAC name is carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane.

Molecular Properties

Compound Namecarbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane
PubChem CID158563052
Molecular FormulaC96H198N6
Molecular Weight1436.68 g/mol
Exact Mass1435.57
IUPAC Namecarbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane
SMILESCC1CC(C)C(C)C(C)[N+]2(CCCCC2)C1.CC1CC(C)C(C)[N+]2(CCCCC2)C(C)C1.CC1CC(C)C(C)[N+]2(CCCCC2)CC1C.CC1CC(C)[N+]2(CCCCC2)CC(C)C1C.CC1CCC(C)[N+]2(CCCCC2)C(C)C1C.CC1C[N+]2(CCCCC2)CC(C)C(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/6C15H30N.6CH3/c1-12-8-9-13(2)16(15(4)14(12)3)10-6-5-7-11-16;1-12-10-16(8-6-5-7-9-16)11-13(2)15(4)14(12)3;1-12-10-14(3)16(8-6-5-7-9-16)11-13(2)15(12)4;1-12-10-13(2)15(4)16(11-14(12)3)8-6-5-7-9-16;1-12-10-13(2)14(3)15(4)16(11-12)8-6-5-7-9-16;1-12-10-13(2)15(4)16(14(3)11-12)8-6-5-7-9-16;;;;;;/h6*12-15H,5-11H2,1-4H3;6*1H3/q6*+1;6*-1
InChIKeyJMYOZAOUAQUTDA-UHFFFAOYSA-N
XLogP24.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms102
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001436.68
LogP ≤ 524.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane?
The IUPAC name of carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane (CID 158563052) is carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane.
What is the SMILES notation for carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane?
The canonical SMILES for carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane is CC1CC(C)C(C)C(C)[N+]2(CCCCC2)C1.CC1CC(C)C(C)[N+]2(CCCCC2)C(C)C1.CC1CC(C)C(C)[N+]2(CCCCC2)CC1C.CC1CC(C)[N+]2(CCCCC2)CC(C)C1C.CC1CCC(C)[N+]2(CCCCC2)C(C)C1C.CC1C[N+]2(CCCCC2)CC(C)C(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane?
The InChIKey is JMYOZAOUAQUTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/6C15H30N.6CH3/c1-12-8-9-13(2)16(15(4)14(12)3)10-6-5-7-11-16;1-12-10-16(8-6-5-7-9-16)11-13(2)15(4)14(12)3;1-12-10-14(3)16(8-6-5-7-9-16)11-13(2)15(12)4;1-12-10-13(2)15(4)16(11-14(12)3)8-6-5-7-9-16;1-12-10-13(2)14(3)15(4)16(11-12)8-6-5-7-9-16;1-12-10-13(2)15(4)16(14(3)11-12)8-6-5-7-9-16;;;;;;/h6*12-15H,5-11H2,1-4H3;6*1H3/q6*+1;6*-1.
What are the key properties of carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane?
carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane has a molecular weight of 1436.68 g/mol, XLogP of 24.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane is sourced from PubChem (CID 158563052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).