1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate

C35H44O6 — CID 70493580

About 1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate

1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate (PubChem CID 70493580) has the molecular formula C35H44O6 and a molecular weight of 560.73 g/mol. Its IUPAC name is 1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate
• PubChem CID: 70493580
• Molecular Formula: C35H44O6
• Molecular Weight: 560.73 g/mol
• Exact Mass: 560.31
• IUPAC Name: 1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(C)COc1ccc(C(C)(C)c2ccc(OCC(C)OC(=O)C(=C)C)c(/C=C\C)c2)cc1/C=C\C
• InChI: InChI=1S/C35H44O6/c1-11-13-27-19-29(15-17-31(27)38-21-25(7)40-33(36)23(3)4)35(9,10)30-16-18-32(28(20-30)14-12-2)39-22-26(8)41-34(37)24(5)6/h11-20,25-26H,3,5,21-22H2,1-2,4,6-10H3/b13-11-,14-12-
• InChIKey: HNOSDOSGSGOVFP-XSYHWHKQSA-N
• XLogP: 7.85
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.73
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate?

The IUPAC name of 1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate (CID 70493580) is 1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate.

What is the SMILES notation for 1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate?

The canonical SMILES for 1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)COc1ccc(C(C)(C)c2ccc(OCC(C)OC(=O)C(=C)C)c(/C=C\C)c2)cc1/C=C\C.

What is the InChIKey of 1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate?

The InChIKey is HNOSDOSGSGOVFP-XSYHWHKQSA-N. The full InChI is InChI=1S/C35H44O6/c1-11-13-27-19-29(15-17-31(27)38-21-25(7)40-33(36)23(3)4)35(9,10)30-16-18-32(28(20-30)14-12-2)39-22-26(8)41-34(37)24(5)6/h11-20,25-26H,3,5,21-22H2,1-2,4,6-10H3/b13-11-,14-12-.

What are the key properties of 1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate?

1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate has a molecular weight of 560.73 g/mol, XLogP of 7.85, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)propoxy]-3-[(Z)-prop-1-enyl]phenyl]propan-2-yl]-2-[(Z)-prop-1-enyl]phenoxy]propan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 70493580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).