methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate

C30H38O4 — CID 162209413

About methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate

methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate (PubChem CID 162209413) has the molecular formula C30H38O4 and a molecular weight of 462.63 g/mol. Its IUPAC name is methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate
• PubChem CID: 162209413
• Molecular Formula: C30H38O4
• Molecular Weight: 462.63 g/mol
• Exact Mass: 462.28
• IUPAC Name: methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate
• SMILES: C.C=C(C)C(=O)OCc1ccc(CC2CCC(c3ccc(COC(=O)C(=C)C)cc3)CC2)cc1
• InChI: InChI=1S/C29H34O4.CH4/c1-20(2)28(30)32-18-24-7-5-22(6-8-24)17-23-9-13-26(14-10-23)27-15-11-25(12-16-27)19-33-29(31)21(3)4;/h5-8,11-12,15-16,23,26H,1,3,9-10,13-14,17-19H2,2,4H3;1H4
• InChIKey: ZSQHJWRHEJDHSI-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.63
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate?

The IUPAC name of methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate (CID 162209413) is methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate.

What is the SMILES notation for methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate?

The canonical SMILES for methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate is C.C=C(C)C(=O)OCc1ccc(CC2CCC(c3ccc(COC(=O)C(=C)C)cc3)CC2)cc1.

What is the InChIKey of methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate?

The InChIKey is ZSQHJWRHEJDHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O4.CH4/c1-20(2)28(30)32-18-24-7-5-22(6-8-24)17-23-9-13-26(14-10-23)27-15-11-25(12-16-27)19-33-29(31)21(3)4;/h5-8,11-12,15-16,23,26H,1,3,9-10,13-14,17-19H2,2,4H3;1H4.

What are the key properties of methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate?

methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate has a molecular weight of 462.63 g/mol, XLogP of 7.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methane;[4-[[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]cyclohexyl]methyl]phenyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 162209413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).