2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate

C30H36O4 — CID 155219783

About 2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate

2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate (PubChem CID 155219783) has the molecular formula C30H36O4 and a molecular weight of 460.61 g/mol. Its IUPAC name is 2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate
• PubChem CID: 155219783
• Molecular Formula: C30H36O4
• Molecular Weight: 460.61 g/mol
• Exact Mass: 460.26
• IUPAC Name: 2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCC(CC)C1=CC=C(C2=CC=C(C3=CC=C(OC(=O)C(=C)C)CC3)CC2)CC1
• InChI: InChI=1S/C30H36O4/c1-6-22(19-33-29(31)20(2)3)23-7-9-24(10-8-23)25-11-13-26(14-12-25)27-15-17-28(18-16-27)34-30(32)21(4)5/h7,9,11,13,15,17,22H,2,4,6,8,10,12,14,16,18-19H2,1,3,5H3
• InChIKey: YGNWKRYIRYXZEZ-UHFFFAOYSA-N
• XLogP: 7.15
• 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	460.61
LogP ≤ 5	7.15
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 2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate?

The IUPAC name of 2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate (CID 155219783) is 2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CC)C1=CC=C(C2=CC=C(C3=CC=C(OC(=O)C(=C)C)CC3)CC2)CC1.

What is the InChIKey of 2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate?

The InChIKey is YGNWKRYIRYXZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36O4/c1-6-22(19-33-29(31)20(2)3)23-7-9-24(10-8-23)25-11-13-26(14-12-25)27-15-17-28(18-16-27)34-30(32)21(4)5/h7,9,11,13,15,17,22H,2,4,6,8,10,12,14,16,18-19H2,1,3,5H3.

What are the key properties of 2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate?

2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate has a molecular weight of 460.61 g/mol, XLogP of 7.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[4-(2-methylprop-2-enoyloxy)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]butyl 2-methylprop-2-enoate is sourced from PubChem (CID 155219783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).