2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate

C32H34O7 — CID 158579684

About 2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate

2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate (PubChem CID 158579684) has the molecular formula C32H34O7 and a molecular weight of 530.62 g/mol. Its IUPAC name is 2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 158579684
• Molecular Formula: C32H34O7
• Molecular Weight: 530.62 g/mol
• Exact Mass: 530.23
• IUPAC Name: 2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCOc1ccc(/C=C/C(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3C=Cc2ccc(C(=C)C)cc2)cc1
• InChI: InChI=1S/C32H34O7/c1-21(2)25-11-5-23(6-12-25)7-13-26-19-37-31-28(20-38-30(26)31)39-29(33)16-10-24-8-14-27(15-9-24)35-17-18-36-32(34)22(3)4/h5-16,26,28,30-31H,1,3,17-20H2,2,4H3/b13-7?,16-10+/t26-,28-,30-,31-/m1/s1
• InChIKey: PTERGJZQHWUPPS-HJUNDAMASA-N
• XLogP: 5.27
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.62
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate (CID 158579684) is 2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOc1ccc(/C=C/C(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3C=Cc2ccc(C(=C)C)cc2)cc1.

What is the InChIKey of 2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate?

The InChIKey is PTERGJZQHWUPPS-HJUNDAMASA-N. The full InChI is InChI=1S/C32H34O7/c1-21(2)25-11-5-23(6-12-25)7-13-26-19-37-31-28(20-38-30(26)31)39-29(33)16-10-24-8-14-27(15-9-24)35-17-18-36-32(34)22(3)4/h5-16,26,28,30-31H,1,3,17-20H2,2,4H3/b13-7?,16-10+/t26-,28-,30-,31-/m1/s1.

What are the key properties of 2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate?

2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 530.62 g/mol, XLogP of 5.27, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(E)-3-[[(3R,3aR,6R,6aS)-3-[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-3-oxoprop-1-enyl]phenoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 158579684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).