2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol

C30H42O2 — CID 58803757

IUPAC2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol
SMILESC=CCC(CC=C)C(c1cc(C)cc(C(C)(C)C)c1O)c1cc(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H42O2/c1-11-13-21(14-12-2)26(22-15-19(3)17-24(27(22)31)29(5,6)7)23-16-20(4)18-25(28(23)32)30(8,9)10/h11-12,15-18,21,26,31-32H,1-2,13-14H2,3-10H3
InChIKeyLCWAJUZGPMQXMB-UHFFFAOYSA-N
MW434.66 g/mol
LogP8.21
Rot. Bonds7

About 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol

2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol (PubChem CID 58803757) has the molecular formula C30H42O2 and a molecular weight of 434.66 g/mol. Its IUPAC name is 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol
PubChem CID58803757
Molecular FormulaC30H42O2
Molecular Weight434.66 g/mol
Exact Mass434.32
IUPAC Name2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol
SMILESC=CCC(CC=C)C(c1cc(C)cc(C(C)(C)C)c1O)c1cc(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H42O2/c1-11-13-21(14-12-2)26(22-15-19(3)17-24(27(22)31)29(5,6)7)23-16-20(4)18-25(28(23)32)30(8,9)10/h11-12,15-18,21,26,31-32H,1-2,13-14H2,3-10H3
InChIKeyLCWAJUZGPMQXMB-UHFFFAOYSA-N
XLogP8.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.66
LogP ≤ 58.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol (CID 58803757) is 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol is C=CCC(CC=C)C(c1cc(C)cc(C(C)(C)C)c1O)c1cc(C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol?
The InChIKey is LCWAJUZGPMQXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42O2/c1-11-13-21(14-12-2)26(22-15-19(3)17-24(27(22)31)29(5,6)7)23-16-20(4)18-25(28(23)32)30(8,9)10/h11-12,15-18,21,26,31-32H,1-2,13-14H2,3-10H3.
What are the key properties of 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol?
2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol has a molecular weight of 434.66 g/mol, XLogP of 8.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[1-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-prop-2-enylpent-4-enyl]-4-methylphenol is sourced from PubChem (CID 58803757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).