4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan

C24H34O — CID 143368889

About 4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan

4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan (PubChem CID 143368889) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan.

Molecular Properties

• Compound Name: 4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan
• PubChem CID: 143368889
• Molecular Formula: C24H34O
• Molecular Weight: 338.54 g/mol
• Exact Mass: 338.26
• IUPAC Name: 4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan
• SMILES: C=C/C=C\C1=C(C)C(C)C(/C=C\C)=C(C=C)C2OC(C(C)CC)CC12
• InChI: InChI=1S/C24H34O/c1-8-12-14-21-18(7)17(6)20(13-9-2)19(11-4)24-22(21)15-23(25-24)16(5)10-3/h8-9,11-14,16-17,22-24H,1,4,10,15H2,2-3,5-7H3/b13-9-,14-12-
• InChIKey: SQFBWKUDGRVWCX-YKCZHJISSA-N
• XLogP: 6.57
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	338.54
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan?

The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan (CID 143368889) is 4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan.

What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan?

The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan is C=C/C=C\C1=C(C)C(C)C(/C=C\C)=C(C=C)C2OC(C(C)CC)CC12.

What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan?

The InChIKey is SQFBWKUDGRVWCX-YKCZHJISSA-N. The full InChI is InChI=1S/C24H34O/c1-8-12-14-21-18(7)17(6)20(13-9-2)19(11-4)24-22(21)15-23(25-24)16(5)10-3/h8-9,11-14,16-17,22-24H,1,4,10,15H2,2-3,5-7H3/b13-9-,14-12-.

What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan?

4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan has a molecular weight of 338.54 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1Z)-buta-1,3-dienyl]-2-butan-2-yl-8-ethenyl-5,6-dimethyl-7-[(Z)-prop-1-enyl]-3,3a,6,8a-tetrahydro-2H-cyclohepta[b]furan is sourced from PubChem (CID 143368889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).