4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol

C35H52N2O2 — CID 137037033

About 4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol

4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol (PubChem CID 137037033) has the molecular formula C35H52N2O2 and a molecular weight of 532.81 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol.

Molecular Properties

• Compound Name: 4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol
• PubChem CID: 137037033
• Molecular Formula: C35H52N2O2
• Molecular Weight: 532.81 g/mol
• Exact Mass: 532.40
• IUPAC Name: 4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol
• SMILES: CC(C)c1cc(CC(C)(C)C)cc(/C=N/C2CCCC2/N=C/c2cc(CC(C)(C)C)cc(C(C)C)c2O)c1O
• InChI: InChI=1S/C35H52N2O2/c1-22(2)28-16-24(18-34(5,6)7)14-26(32(28)38)20-36-30-12-11-13-31(30)37-21-27-15-25(19-35(8,9)10)17-29(23(3)4)33(27)39/h14-17,20-23,30-31,38-39H,11-13,18-19H2,1-10H3/b36-20+,37-21+
• InChIKey: IYZNTZUXJZSXRV-UHQZYLKYSA-N
• XLogP: 8.98
• TPSA: 65.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.81
LogP ≤ 5	8.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol?

The IUPAC name of 4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol (CID 137037033) is 4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol.

What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol?

The canonical SMILES for 4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol is CC(C)c1cc(CC(C)(C)C)cc(/C=N/C2CCCC2/N=C/c2cc(CC(C)(C)C)cc(C(C)C)c2O)c1O.

What is the InChIKey of 4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol?

The InChIKey is IYZNTZUXJZSXRV-UHQZYLKYSA-N. The full InChI is InChI=1S/C35H52N2O2/c1-22(2)28-16-24(18-34(5,6)7)14-26(32(28)38)20-36-30-12-11-13-31(30)37-21-27-15-25(19-35(8,9)10)17-29(23(3)4)33(27)39/h14-17,20-23,30-31,38-39H,11-13,18-19H2,1-10H3/b36-20+,37-21+.

What are the key properties of 4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol?

4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol has a molecular weight of 532.81 g/mol, XLogP of 8.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,2-dimethylpropyl)-2-[[2-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-propan-2-ylphenyl]methylideneamino]cyclopentyl]iminomethyl]-6-propan-2-ylphenol is sourced from PubChem (CID 137037033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).