1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene

C28H34Br4O — CID 140978129

IUPAC1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene
SMILESCC(C)=C(OC(=C(C)C)c1c(Br)cc(Br)cc1C(C)(C)C)c1c(Br)cc(Br)cc1C(C)(C)C
InChIInChI=1S/C28H34Br4O/c1-15(2)25(23-19(27(5,6)7)11-17(29)13-21(23)31)33-26(16(3)4)24-20(28(8,9)10)12-18(30)14-22(24)32/h11-14H,1-10H3
InChIKeyCTIISTOONQEOEF-UHFFFAOYSA-N
MW706.20 g/mol
LogP11.55
Rot. Bonds4

About 1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene

1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene (PubChem CID 140978129) has the molecular formula C28H34Br4O and a molecular weight of 706.20 g/mol. Its IUPAC name is 1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene.

Molecular Properties

Compound Name1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene
PubChem CID140978129
Molecular FormulaC28H34Br4O
Molecular Weight706.20 g/mol
Exact Mass701.93
IUPAC Name1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene
SMILESCC(C)=C(OC(=C(C)C)c1c(Br)cc(Br)cc1C(C)(C)C)c1c(Br)cc(Br)cc1C(C)(C)C
InChIInChI=1S/C28H34Br4O/c1-15(2)25(23-19(27(5,6)7)11-17(29)13-21(23)31)33-26(16(3)4)24-20(28(8,9)10)12-18(30)14-22(24)32/h11-14H,1-10H3
InChIKeyCTIISTOONQEOEF-UHFFFAOYSA-N
XLogP11.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.20
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene?
The IUPAC name of 1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene (CID 140978129) is 1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene.
What is the SMILES notation for 1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene?
The canonical SMILES for 1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene is CC(C)=C(OC(=C(C)C)c1c(Br)cc(Br)cc1C(C)(C)C)c1c(Br)cc(Br)cc1C(C)(C)C.
What is the InChIKey of 1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene?
The InChIKey is CTIISTOONQEOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34Br4O/c1-15(2)25(23-19(27(5,6)7)11-17(29)13-21(23)31)33-26(16(3)4)24-20(28(8,9)10)12-18(30)14-22(24)32/h11-14H,1-10H3.
What are the key properties of 1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene?
1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene has a molecular weight of 706.20 g/mol, XLogP of 11.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-3-tert-butyl-2-[1-[1-(2,4-dibromo-6-tert-butylphenyl)-2-methylprop-1-enoxy]-2-methylprop-1-enyl]benzene is sourced from PubChem (CID 140978129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).