1,2-dibromo-4,5-bis(3-methylbutoxy)benzene

C16H24Br2O2 — CID 69302382

IUPAC1,2-dibromo-4,5-bis(3-methylbutoxy)benzene
SMILESCC(C)CCOc1cc(Br)c(Br)cc1OCCC(C)C
InChIInChI=1S/C16H24Br2O2/c1-11(2)5-7-19-15-9-13(17)14(18)10-16(15)20-8-6-12(3)4/h9-12H,5-8H2,1-4H3
InChIKeyFJOASBINLNKOIW-UHFFFAOYSA-N
MW408.17 g/mol
LogP6.06
Rot. Bonds8

About 1,2-dibromo-4,5-bis(3-methylbutoxy)benzene

1,2-dibromo-4,5-bis(3-methylbutoxy)benzene (PubChem CID 69302382) has the molecular formula C16H24Br2O2 and a molecular weight of 408.17 g/mol. Its IUPAC name is 1,2-dibromo-4,5-bis(3-methylbutoxy)benzene.

Molecular Properties

Compound Name1,2-dibromo-4,5-bis(3-methylbutoxy)benzene
PubChem CID69302382
Molecular FormulaC16H24Br2O2
Molecular Weight408.17 g/mol
Exact Mass406.01
IUPAC Name1,2-dibromo-4,5-bis(3-methylbutoxy)benzene
SMILESCC(C)CCOc1cc(Br)c(Br)cc1OCCC(C)C
InChIInChI=1S/C16H24Br2O2/c1-11(2)5-7-19-15-9-13(17)14(18)10-16(15)20-8-6-12(3)4/h9-12H,5-8H2,1-4H3
InChIKeyFJOASBINLNKOIW-UHFFFAOYSA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.17
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dibromo-2,5-bis(3,7-dimethyloctoxy)benzene
CID 22174235
5-bromo-2-(3-methylbutoxy)aniline
CID 26190377
1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene
CID 91656797
5-bromo-2-(3-methylbutoxy)benzaldehyde
CID 3816179
1,2-dibromo-4,5-didecoxybenzene
CID 71339465
3-methylbutyl 3-bromo-4-(3-methylbutoxy)benzoate
CID 54793284
5-bromo-2-(3-methylbutoxy)benzonitrile
CID 83146127
2-(bromomethyl)-1,4-bis(3-methylbutoxy)benzene
CID 59245479
2,3,6,7,10,11-hexakis(3,7-dimethyloctoxy)triphenylene
CID 11320772
2,3,6,7,10,11-hexakis[(3R)-3,7-dimethyloctoxy]triphenylene
CID 100942085
1-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
2-[5-bromo-2-(3-methylbutoxy)phenyl]ethanamine
CID 60905415

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-4,5-bis(3-methylbutoxy)benzene?
The IUPAC name of 1,2-dibromo-4,5-bis(3-methylbutoxy)benzene (CID 69302382) is 1,2-dibromo-4,5-bis(3-methylbutoxy)benzene.
What is the SMILES notation for 1,2-dibromo-4,5-bis(3-methylbutoxy)benzene?
The canonical SMILES for 1,2-dibromo-4,5-bis(3-methylbutoxy)benzene is CC(C)CCOc1cc(Br)c(Br)cc1OCCC(C)C.
What is the InChIKey of 1,2-dibromo-4,5-bis(3-methylbutoxy)benzene?
The InChIKey is FJOASBINLNKOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Br2O2/c1-11(2)5-7-19-15-9-13(17)14(18)10-16(15)20-8-6-12(3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,2-dibromo-4,5-bis(3-methylbutoxy)benzene?
1,2-dibromo-4,5-bis(3-methylbutoxy)benzene has a molecular weight of 408.17 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-4,5-bis(3-methylbutoxy)benzene is sourced from PubChem (CID 69302382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).