2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane

C39H59O7Sb — CID 142098800

About 2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane

2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane (PubChem CID 142098800) has the molecular formula C39H59O7Sb and a molecular weight of 761.65 g/mol. Its IUPAC name is 2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane.

Molecular Properties

• Compound Name: 2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane
• PubChem CID: 142098800
• Molecular Formula: C39H59O7Sb
• Molecular Weight: 761.65 g/mol
• Exact Mass: 760.33
• IUPAC Name: 2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane
• SMILES: C=C(C)C(=O)OCCOc1ccc(C(C)(CCCC[Sb](C)C)c2ccc(OCCOC(=O)C(=C)C)cc2)cc1.CC(C)OC(C)(C)C
• InChI: InChI=1S/C30H37O6.C7H16O.2CH3.Sb/c1-7-8-17-30(6,24-9-13-26(14-10-24)33-18-20-35-28(31)22(2)3)25-11-15-27(16-12-25)34-19-21-36-29(32)23(4)5;1-6(2)8-7(3,4)5;;;/h9-16H,1-2,4,7-8,17-21H2,3,5-6H3;6H,1-5H3;2*1H3
• InChIKey: GYCURSHLOZGGSQ-UHFFFAOYSA-N
• XLogP: 9.12
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.65
LogP ≤ 5	9.12
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane?

The IUPAC name of 2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane (CID 142098800) is 2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane.

What is the SMILES notation for 2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane?

The canonical SMILES for 2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane is C=C(C)C(=O)OCCOc1ccc(C(C)(CCCC[Sb](C)C)c2ccc(OCCOC(=O)C(=C)C)cc2)cc1.CC(C)OC(C)(C)C.

What is the InChIKey of 2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane?

The InChIKey is GYCURSHLOZGGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37O6.C7H16O.2CH3.Sb/c1-7-8-17-30(6,24-9-13-26(14-10-24)33-18-20-35-28(31)22(2)3)25-11-15-27(16-12-25)34-19-21-36-29(32)23(4)5;1-6(2)8-7(3,4)5;;;/h9-16H,1-2,4,7-8,17-21H2,3,5-6H3;6H,1-5H3;2*1H3;.

What are the key properties of 2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane?

2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane has a molecular weight of 761.65 g/mol, XLogP of 9.12, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-dimethylstibanyl-2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]hexan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate;2-methyl-2-propan-2-yloxypropane is sourced from PubChem (CID 142098800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).