1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene

C₂₈H₄₇N — CID 156737910

About 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene

1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene (PubChem CID 156737910) has the molecular formula C₂₈H₄₇N and a molecular weight of 397.69 g/mol. Its IUPAC name is 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene.

Molecular Properties

• Compound Name: 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene
• PubChem CID: 156737910
• Molecular Formula: C₂₈H₄₇N
• Molecular Weight: 397.69 g/mol
• Exact Mass: 397.37
• IUPAC Name: 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene
• SMILES: C=C(C)C1CC1(C)C.CC.CC.Cc1ccc(C)c(C)c1.Cc1ccc(C)nc1
• InChI: InChI=1S/C9H12.C8H14.C7H9N.2C2H6/c1-7-4-5-8(2)9(3)6-7;1-6(2)7-5-8(7,3)4;1-6-3-4-7(2)8-5-6;2*1-2/h4-6H,1-3H3;7H,1,5H2,2-4H3;3-5H,1-2H3;2*1-2H3
• InChIKey: YJQKAKWFNVIZIX-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.69
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene?

The IUPAC name of 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene (CID 156737910) is 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene.

What is the SMILES notation for 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene?

The canonical SMILES for 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene is C=C(C)C1CC1(C)C.CC.CC.Cc1ccc(C)c(C)c1.Cc1ccc(C)nc1.

What is the InChIKey of 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene?

The InChIKey is YJQKAKWFNVIZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H14.C7H9N.2C2H6/c1-7-4-5-8(2)9(3)6-7;1-6(2)7-5-8(7,3)4;1-6-3-4-7(2)8-5-6;2*1-2/h4-6H,1-3H3;7H,1,5H2,2-4H3;3-5H,1-2H3;2*1-2H3.

What are the key properties of 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene?

1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene has a molecular weight of 397.69 g/mol, XLogP of 8.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dimethyl-2-prop-1-en-2-ylcyclopropane;2,5-dimethylpyridine;ethane;1,2,4-trimethylbenzene is sourced from PubChem (CID 156737910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156737910 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.