2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol

C33H48O6 — CID 139762092

About 2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol

2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol (PubChem CID 139762092) has the molecular formula C33H48O6 and a molecular weight of 540.74 g/mol. Its IUPAC name is 2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol.

Molecular Properties

• Compound Name: 2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol
• PubChem CID: 139762092
• Molecular Formula: C33H48O6
• Molecular Weight: 540.74 g/mol
• Exact Mass: 540.35
• IUPAC Name: 2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol
• SMILES: Cc1cc(O)c(C(C)(C)C)cc1CCC1OCC2(CO1)COC(CCc1cc(C(C)(C)C)c(O)cc1C)OC2
• InChI: InChI=1S/C33H48O6/c1-21-13-27(34)25(31(3,4)5)15-23(21)9-11-29-36-17-33(18-37-29)19-38-30(39-20-33)12-10-24-16-26(32(6,7)8)28(35)14-22(24)2/h13-16,29-30,34-35H,9-12,17-20H2,1-8H3
• InChIKey: YLFWPVPJRXSLPD-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.74
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol?

The IUPAC name of 2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol (CID 139762092) is 2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol.

What is the SMILES notation for 2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol?

The canonical SMILES for 2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol is Cc1cc(O)c(C(C)(C)C)cc1CCC1OCC2(CO1)COC(CCc1cc(C(C)(C)C)c(O)cc1C)OC2.

What is the InChIKey of 2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol?

The InChIKey is YLFWPVPJRXSLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48O6/c1-21-13-27(34)25(31(3,4)5)15-23(21)9-11-29-36-17-33(18-37-29)19-38-30(39-20-33)12-10-24-16-26(32(6,7)8)28(35)14-22(24)2/h13-16,29-30,34-35H,9-12,17-20H2,1-8H3.

What are the key properties of 2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol?

2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol has a molecular weight of 540.74 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-[2-[3-[2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-5-methylphenol is sourced from PubChem (CID 139762092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).