[4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate

C34H36O10 — CID 59360215

About [4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate

[4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate (PubChem CID 59360215) has the molecular formula C34H36O10 and a molecular weight of 604.65 g/mol. Its IUPAC name is [4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate
• PubChem CID: 59360215
• Molecular Formula: C34H36O10
• Molecular Weight: 604.65 g/mol
• Exact Mass: 604.23
• IUPAC Name: [4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCOc1ccc(/C=C\C(=O)OC2CCC(OC(=O)/C=C\c3ccc(OCOC(=O)C(=C)C)cc3)CC2)cc1
• InChI: InChI=1S/C34H36O10/c1-23(2)33(37)41-21-39-27-11-5-25(6-12-27)9-19-31(35)43-29-15-17-30(18-16-29)44-32(36)20-10-26-7-13-28(14-8-26)40-22-42-34(38)24(3)4/h5-14,19-20,29-30H,1,3,15-18,21-22H2,2,4H3/b19-9-,20-10-
• InChIKey: FTZLLXWUFDAWJD-QJUDHZBZSA-N
• XLogP: 5.72
• TPSA: 123.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.65
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate?

The IUPAC name of [4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate (CID 59360215) is [4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate.

What is the SMILES notation for [4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate?

The canonical SMILES for [4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCOc1ccc(/C=C\C(=O)OC2CCC(OC(=O)/C=C\c3ccc(OCOC(=O)C(=C)C)cc3)CC2)cc1.

What is the InChIKey of [4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate?

The InChIKey is FTZLLXWUFDAWJD-QJUDHZBZSA-N. The full InChI is InChI=1S/C34H36O10/c1-23(2)33(37)41-21-39-27-11-5-25(6-12-27)9-19-31(35)43-29-15-17-30(18-16-29)44-32(36)20-10-26-7-13-28(14-8-26)40-22-42-34(38)24(3)4/h5-14,19-20,29-30H,1,3,15-18,21-22H2,2,4H3/b19-9-,20-10-.

What are the key properties of [4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate?

[4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate has a molecular weight of 604.65 g/mol, XLogP of 5.72, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 59360215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).