7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol

C25H36O2 — CID 58659696

About 7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol

7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol (PubChem CID 58659696) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol.

Molecular Properties

• Compound Name: 7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
• PubChem CID: 58659696
• Molecular Formula: C25H36O2
• Molecular Weight: 368.56 g/mol
• Exact Mass: 368.27
• IUPAC Name: 7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
• SMILES: CC(C)=CC(C)C/C(C)=C/Cc1c(O)c(C)c(C)c2c1CCC1(CCC1)O2
• InChI: InChI=1S/C25H36O2/c1-16(2)14-18(4)15-17(3)8-9-21-22-10-13-25(11-7-12-25)27-24(22)20(6)19(5)23(21)26/h8,14,18,26H,7,9-13,15H2,1-6H3/b17-8+
• InChIKey: CNJHFZBMJDLTNM-CAOOACKPSA-N
• XLogP: 6.74
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.56
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?

The IUPAC name of 7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol (CID 58659696) is 7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol.

What is the SMILES notation for 7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?

The canonical SMILES for 7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol is CC(C)=CC(C)C/C(C)=C/Cc1c(O)c(C)c(C)c2c1CCC1(CCC1)O2.

What is the InChIKey of 7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?

The InChIKey is CNJHFZBMJDLTNM-CAOOACKPSA-N. The full InChI is InChI=1S/C25H36O2/c1-16(2)14-18(4)15-17(3)8-9-21-22-10-13-25(11-7-12-25)27-24(22)20(6)19(5)23(21)26/h8,14,18,26H,7,9-13,15H2,1-6H3/b17-8+.

What are the key properties of 7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?

7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol has a molecular weight of 368.56 g/mol, XLogP of 6.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7,8-dimethyl-5-[(2E)-3,5,7-trimethylocta-2,6-dienyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol is sourced from PubChem (CID 58659696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).