1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene

C34H46O — CID 139803760

About 1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene

1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene (PubChem CID 139803760) has the molecular formula C34H46O and a molecular weight of 470.74 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene.

Molecular Properties

• Compound Name: 1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene
• PubChem CID: 139803760
• Molecular Formula: C34H46O
• Molecular Weight: 470.74 g/mol
• Exact Mass: 470.35
• IUPAC Name: 1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene
• SMILES: CC(C)Cc1ccc(C2CC=C(COCC3=CCC(c4ccc(CC(C)C)cc4)CC3)CC2)cc1
• InChI: InChI=1S/C34H46O/c1-25(2)21-27-5-13-31(14-6-27)33-17-9-29(10-18-33)23-35-24-30-11-19-34(20-12-30)32-15-7-28(8-16-32)22-26(3)4/h5-9,11,13-16,25-26,33-34H,10,12,17-24H2,1-4H3
• InChIKey: KQXAOZMIUMFPCX-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.74
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene?

The IUPAC name of 1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene (CID 139803760) is 1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene.

What is the SMILES notation for 1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene?

The canonical SMILES for 1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene is CC(C)Cc1ccc(C2CC=C(COCC3=CCC(c4ccc(CC(C)C)cc4)CC3)CC2)cc1.

What is the InChIKey of 1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene?

The InChIKey is KQXAOZMIUMFPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O/c1-25(2)21-27-5-13-31(14-6-27)33-17-9-29(10-18-33)23-35-24-30-11-19-34(20-12-30)32-15-7-28(8-16-32)22-26(3)4/h5-9,11,13-16,25-26,33-34H,10,12,17-24H2,1-4H3.

What are the key properties of 1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene?

1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene has a molecular weight of 470.74 g/mol, XLogP of 9.19, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene is sourced from PubChem (CID 139803760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).