1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane

C29H50 — CID 91246238

About 1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane

1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane (PubChem CID 91246238) has the molecular formula C29H50 and a molecular weight of 398.72 g/mol. Its IUPAC name is 1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane.

Molecular Properties

• Compound Name: 1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane
• PubChem CID: 91246238
• Molecular Formula: C29H50
• Molecular Weight: 398.72 g/mol
• Exact Mass: 398.39
• IUPAC Name: 1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane
• SMILES: C=C(C)CC1C(C)CC12C(C)C2C(C)C1CC1C(C)C(C)C1CC1C(C)CCC
• InChI: InChI=1S/C29H50/c1-10-11-17(4)23-13-24(23)19(6)20(7)25-14-26(25)21(8)28-22(9)29(28)15-18(5)27(29)12-16(2)3/h17-28H,2,10-15H2,1,3-9H3
• InChIKey: AFHZEVJHUZVAQI-UHFFFAOYSA-N
• XLogP: 8.48
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.72
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane?

The IUPAC name of 1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane (CID 91246238) is 1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane.

What is the SMILES notation for 1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane?

The canonical SMILES for 1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane is C=C(C)CC1C(C)CC12C(C)C2C(C)C1CC1C(C)C(C)C1CC1C(C)CCC.

What is the InChIKey of 1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane?

The InChIKey is AFHZEVJHUZVAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50/c1-10-11-17(4)23-13-24(23)19(6)20(7)25-14-26(25)21(8)28-22(9)29(28)15-18(5)27(29)12-16(2)3/h17-28H,2,10-15H2,1,3-9H3.

What are the key properties of 1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane?

1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane has a molecular weight of 398.72 g/mol, XLogP of 8.48, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane is sourced from PubChem (CID 91246238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).