2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol

C34H52N2O2 — CID 137148529

IUPAC2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
SMILESCC(C)CCc1cc(/C=N/CC/N=C/c2cc(CCC(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C34H52N2O2/c1-23(2)11-13-25-17-27(31(37)29(19-25)33(5,6)7)21-35-15-16-36-22-28-18-26(14-12-24(3)4)20-30(32(28)38)34(8,9)10/h17-24,37-38H,11-16H2,1-10H3/b35-21+,36-22+
InChIKeyNQRGAVNCXHIMLH-JTOYJDTJSA-N
MW520.80 g/mol
LogP8.41
Rot. Bonds11

About 2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol

2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol (PubChem CID 137148529) has the molecular formula C34H52N2O2 and a molecular weight of 520.80 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
PubChem CID137148529
Molecular FormulaC34H52N2O2
Molecular Weight520.80 g/mol
Exact Mass520.40
IUPAC Name2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
SMILESCC(C)CCc1cc(/C=N/CC/N=C/c2cc(CCC(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C34H52N2O2/c1-23(2)11-13-25-17-27(31(37)29(19-25)33(5,6)7)21-35-15-16-36-22-28-18-26(14-12-24(3)4)20-30(32(28)38)34(8,9)10/h17-24,37-38H,11-16H2,1-10H3/b35-21+,36-22+
InChIKeyNQRGAVNCXHIMLH-JTOYJDTJSA-N
XLogP8.41
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.80
LogP ≤ 58.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol?
The IUPAC name of 2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol (CID 137148529) is 2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol.
What is the SMILES notation for 2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol?
The canonical SMILES for 2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol is CC(C)CCc1cc(/C=N/CC/N=C/c2cc(CCC(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol?
The InChIKey is NQRGAVNCXHIMLH-JTOYJDTJSA-N. The full InChI is InChI=1S/C34H52N2O2/c1-23(2)11-13-25-17-27(31(37)29(19-25)33(5,6)7)21-35-15-16-36-22-28-18-26(14-12-24(3)4)20-30(32(28)38)34(8,9)10/h17-24,37-38H,11-16H2,1-10H3/b35-21+,36-22+.
What are the key properties of 2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol?
2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol has a molecular weight of 520.80 g/mol, XLogP of 8.41, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol is sourced from PubChem (CID 137148529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).