2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol

C26H38O2 — CID 91460835

IUPAC2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol
SMILESCC(C)=CCc1c(O)c(CC=C(C)C)c(CC=C(C)C)c(O)c1CC=C(C)C
InChIInChI=1S/C26H38O2/c1-17(2)9-13-21-22(14-10-18(3)4)26(28)24(16-12-20(7)8)23(25(21)27)15-11-19(5)6/h9-12,27-28H,13-16H2,1-8H3
InChIKeySOTFTBNDPYAAPR-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.13
Rot. Bonds8

About 2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol

2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol (PubChem CID 91460835) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol.

Molecular Properties

Compound Name2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol
PubChem CID91460835
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol
SMILESCC(C)=CCc1c(O)c(CC=C(C)C)c(CC=C(C)C)c(O)c1CC=C(C)C
InChIInChI=1S/C26H38O2/c1-17(2)9-13-21-22(14-10-18(3)4)26(28)24(16-12-20(7)8)23(25(21)27)15-11-19(5)6/h9-12,27-28H,13-16H2,1-8H3
InChIKeySOTFTBNDPYAAPR-UHFFFAOYSA-N
XLogP7.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol?
The IUPAC name of 2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol (CID 91460835) is 2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol.
What is the SMILES notation for 2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol?
The canonical SMILES for 2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol is CC(C)=CCc1c(O)c(CC=C(C)C)c(CC=C(C)C)c(O)c1CC=C(C)C.
What is the InChIKey of 2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol?
The InChIKey is SOTFTBNDPYAAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-17(2)9-13-21-22(14-10-18(3)4)26(28)24(16-12-20(7)8)23(25(21)27)15-11-19(5)6/h9-12,27-28H,13-16H2,1-8H3.
What are the key properties of 2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol?
2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol has a molecular weight of 382.59 g/mol, XLogP of 7.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis(3-methylbut-2-enyl)benzene-1,4-diol is sourced from PubChem (CID 91460835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).