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

C101H208N6 — CID 159958458

IUPACcarbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane
SMILESCC1C(C)C(C)C(C)[N+]2(CCCCC2)C(C)C1C.CC1CC(C)C(C)[N+]2(CCCCC2)C(C)C1C.CC1CC(C)[N+]2(CCCCC2)C(C)C(C)C1C.CC1CC(C)[N+]2(CCCCC2)C(C)CC1C.CC1CCC(C)C(C)[N+]2(CCCCC2)C1C.CC1C[N+]2(CCCCC2)C(C)C(C)C(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C17H34N.3C16H32N.2C15H30N.6CH3/c1-12-13(2)15(4)17(6)18(16(5)14(12)3)10-8-7-9-11-18;1-12-11-17(9-7-6-8-10-17)16(5)15(4)14(3)13(12)2;1-12-11-13(2)17(9-7-6-8-10-17)16(5)15(4)14(12)3;1-12-11-13(2)15(4)17(16(5)14(12)3)9-7-6-8-10-17;1-12-8-9-13(2)15(4)16(14(12)3)10-6-5-7-11-16;1-12-10-14(3)16(8-6-5-7-9-16)15(4)11-13(12)2;;;;;;/h12-17H,7-11H2,1-6H3;3*12-16H,6-11H2,1-5H3;2*12-15H,5-11H2,1-4H3;6*1H3/q6*+1;6*-1
InChIKeyCCZSEPYOKPFDBH-UHFFFAOYSA-N
MW1506.82 g/mol
LogP26.77
Rot. Bonds

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

carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane (PubChem CID 159958458) has the molecular formula C101H208N6 and a molecular weight of 1506.82 g/mol. Its IUPAC name is carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane.

Molecular Properties

Compound Namecarbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane
PubChem CID159958458
Molecular FormulaC101H208N6
Molecular Weight1506.82 g/mol
Exact Mass1505.65
IUPAC Namecarbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane
SMILESCC1C(C)C(C)C(C)[N+]2(CCCCC2)C(C)C1C.CC1CC(C)C(C)[N+]2(CCCCC2)C(C)C1C.CC1CC(C)[N+]2(CCCCC2)C(C)C(C)C1C.CC1CC(C)[N+]2(CCCCC2)C(C)CC1C.CC1CCC(C)C(C)[N+]2(CCCCC2)C1C.CC1C[N+]2(CCCCC2)C(C)C(C)C(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C17H34N.3C16H32N.2C15H30N.6CH3/c1-12-13(2)15(4)17(6)18(16(5)14(12)3)10-8-7-9-11-18;1-12-11-17(9-7-6-8-10-17)16(5)15(4)14(3)13(12)2;1-12-11-13(2)17(9-7-6-8-10-17)16(5)15(4)14(12)3;1-12-11-13(2)15(4)17(16(5)14(12)3)9-7-6-8-10-17;1-12-8-9-13(2)15(4)16(14(12)3)10-6-5-7-11-16;1-12-10-14(3)16(8-6-5-7-9-16)15(4)11-13(12)2;;;;;;/h12-17H,7-11H2,1-6H3;3*12-16H,6-11H2,1-5H3;2*12-15H,5-11H2,1-4H3;6*1H3/q6*+1;6*-1
InChIKeyCCZSEPYOKPFDBH-UHFFFAOYSA-N
XLogP26.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms107
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001506.82
LogP ≤ 526.77
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;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane?
The IUPAC name of carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane (CID 159958458) is carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane.
What is the SMILES notation for carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane?
The canonical SMILES for carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane is CC1C(C)C(C)C(C)[N+]2(CCCCC2)C(C)C1C.CC1CC(C)C(C)[N+]2(CCCCC2)C(C)C1C.CC1CC(C)[N+]2(CCCCC2)C(C)C(C)C1C.CC1CC(C)[N+]2(CCCCC2)C(C)CC1C.CC1CCC(C)C(C)[N+]2(CCCCC2)C1C.CC1C[N+]2(CCCCC2)C(C)C(C)C(C)C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane?
The InChIKey is CCZSEPYOKPFDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N.3C16H32N.2C15H30N.6CH3/c1-12-13(2)15(4)17(6)18(16(5)14(12)3)10-8-7-9-11-18;1-12-11-17(9-7-6-8-10-17)16(5)15(4)14(3)13(12)2;1-12-11-13(2)17(9-7-6-8-10-17)16(5)15(4)14(12)3;1-12-11-13(2)15(4)17(16(5)14(12)3)9-7-6-8-10-17;1-12-8-9-13(2)15(4)16(14(12)3)10-6-5-7-11-16;1-12-10-14(3)16(8-6-5-7-9-16)15(4)11-13(12)2;;;;;;/h12-17H,7-11H2,1-6H3;3*12-16H,6-11H2,1-5H3;2*12-15H,5-11H2,1-4H3;6*1H3/q6*+1;6*-1.
What are the key properties of carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane?
carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane has a molecular weight of 1506.82 g/mol, XLogP of 26.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;7,8,9,10,11,12-hexamethyl-6-azoniaspiro[5.6]dodecane;7,8,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11,12-pentamethyl-6-azoniaspiro[5.6]dodecane;7,8,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane is sourced from PubChem (CID 159958458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).