3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+))

C107H177N5V21 — CID 159402177

About 3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+))

3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+)) (PubChem CID 159402177) has the molecular formula C107H177N5V21 and a molecular weight of 2603.45 g/mol. Its IUPAC name is 3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+)).

Molecular Properties

• Compound Name: 3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+))
• PubChem CID: 159402177
• Molecular Formula: C107H177N5V21
• Molecular Weight: 2603.45 g/mol
• Exact Mass: 2602.22
• IUPAC Name: 3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+))
• SMILES: CC(C)(C)CCc1c[c-]ccc1.CC(C)(C)CCc1c[c-]ccn1.CC(C)(C)CCc1c[c-]cnc1.CC(C)(C)CCc1c[c-]ncc1.CC(C)(C)CCc1cc[c-]cc1.CC(C)(C)CCc1cc[c-]cn1.CC(C)(C)CCc1cc[c-]nc1.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V]
• InChI: InChI=1S/2C12H17.5C11H16N.7C4H9.21V/c2*1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)7-4-10-5-8-12-9-6-10;2*1-11(2,3)7-6-10-5-4-8-12-9-10;2*1-11(2,3)8-7-10-6-4-5-9-12-10;7*1-4(2)3;;;;;;;;;;;;;;;;;;;;;/h5-8H,9-10H2,1-3H3;4-5,7-8H,9-10H2,1-3H3;5-6,8H,4,7H2,1-3H3;5,8-9H,6-7H2,1-3H3;4-5,9H,6-7H2,1-3H3;5-6,9H,7-8H2,1-3H3;4,6,9H,7-8H2,1-3H3;7*1-3H3;;;;;;;;;;;;;;;;;;;;;/q14*-1;;;;;;;;;;;;;;;7*+2
• InChIKey: MLKYZAUOKSUCPO-UHFFFAOYSA-N
• XLogP: 32.53
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2603.45
LogP ≤ 5	32.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+))?

The IUPAC name of 3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+)) (CID 159402177) is 3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+)).

What is the SMILES notation for 3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+))?

The canonical SMILES for 3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+)) is CC(C)(C)CCc1c[c-]ccc1.CC(C)(C)CCc1c[c-]ccn1.CC(C)(C)CCc1c[c-]cnc1.CC(C)(C)CCc1c[c-]ncc1.CC(C)(C)CCc1cc[c-]cc1.CC(C)(C)CCc1cc[c-]cn1.CC(C)(C)CCc1cc[c-]nc1.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V+2].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].

What is the InChIKey of 3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+))?

The InChIKey is MLKYZAUOKSUCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17.5C11H16N.7C4H9.21V/c2*1-12(2,3)10-9-11-7-5-4-6-8-11;1-11(2,3)7-4-10-5-8-12-9-6-10;2*1-11(2,3)7-6-10-5-4-8-12-9-10;2*1-11(2,3)8-7-10-6-4-5-9-12-10;7*1-4(2)3;;;;;;;;;;;;;;;;;;;;;/h5-8H,9-10H2,1-3H3;4-5,7-8H,9-10H2,1-3H3;5-6,8H,4,7H2,1-3H3;5,8-9H,6-7H2,1-3H3;4-5,9H,6-7H2,1-3H3;5-6,9H,7-8H2,1-3H3;4,6,9H,7-8H2,1-3H3;7*1-3H3;;;;;;;;;;;;;;;;;;;;;/q14*-1;;;;;;;;;;;;;;;7*+2.

What are the key properties of 3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+))?

3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+)) has a molecular weight of 2603.45 g/mol, XLogP of 32.53, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethylbutylbenzene;3,3-dimethylbutylbenzene;2-(3,3-dimethylbutyl)-4H-pyridin-4-ide;4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;6-(3,3-dimethylbutyl)-3H-pyridin-3-ide;heptakis(2-methylpropane);tetradecakis(vanadium);heptakis(vanadium(2+)) is sourced from PubChem (CID 159402177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).