7-(3,7-dimethylocta-2,6-dienyl)-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol

C24H34O2 — CID 69054620

About 7-(3,7-dimethylocta-2,6-dienyl)-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol

7-(3,7-dimethylocta-2,6-dienyl)-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol (PubChem CID 69054620) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 7-(3,7-dimethylocta-2,6-dienyl)-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol.

Molecular Properties

• Compound Name: 7-(3,7-dimethylocta-2,6-dienyl)-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
• PubChem CID: 69054620
• Molecular Formula: C24H34O2
• Molecular Weight: 354.53 g/mol
• Exact Mass: 354.26
• IUPAC Name: 7-(3,7-dimethylocta-2,6-dienyl)-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol
• SMILES: CC(C)=CCCC(C)=CCc1c(C)c2c(c(C)c1O)CCC1(CCC1)O2
• InChI: InChI=1S/C24H34O2/c1-16(2)8-6-9-17(3)10-11-20-19(5)23-21(18(4)22(20)25)12-15-24(26-23)13-7-14-24/h8,10,25H,6-7,9,11-15H2,1-5H3
• InChIKey: YWQMAVGZUDZNOJ-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.53
LogP ≤ 5	6.49
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-(3,7-dimethylocta-2,6-dienyl)-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol?

The IUPAC name of 7-(3,7-dimethylocta-2,6-dienyl)-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol (CID 69054620) is 7-(3,7-dimethylocta-2,6-dienyl)-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol.

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

The canonical SMILES for 7-(3,7-dimethylocta-2,6-dienyl)-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol is CC(C)=CCCC(C)=CCc1c(C)c2c(c(C)c1O)CCC1(CCC1)O2.

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

The InChIKey is YWQMAVGZUDZNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-16(2)8-6-9-17(3)10-11-20-19(5)23-21(18(4)22(20)25)12-15-24(26-23)13-7-14-24/h8,10,25H,6-7,9,11-15H2,1-5H3.

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

7-(3,7-dimethylocta-2,6-dienyl)-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol has a molecular weight of 354.53 g/mol, XLogP of 6.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,7-dimethylocta-2,6-dienyl)-5,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-ol is sourced from PubChem (CID 69054620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).