1,3-dibromo-2-(3-methylpentyl)benzene

C12H16Br2 — CID 59009897

IUPAC1,3-dibromo-2-(3-methylpentyl)benzene
SMILESCCC(C)CCc1c(Br)cccc1Br
InChIInChI=1S/C12H16Br2/c1-3-9(2)7-8-10-11(13)5-4-6-12(10)14/h4-6,9H,3,7-8H2,1-2H3
InChIKeyVCNYEUKXWLPSDG-UHFFFAOYSA-N
MW320.07 g/mol
LogP5.19
Rot. Bonds4

About 1,3-dibromo-2-(3-methylpentyl)benzene

1,3-dibromo-2-(3-methylpentyl)benzene (PubChem CID 59009897) has the molecular formula C12H16Br2 and a molecular weight of 320.07 g/mol. Its IUPAC name is 1,3-dibromo-2-(3-methylpentyl)benzene.

Molecular Properties

Compound Name1,3-dibromo-2-(3-methylpentyl)benzene
PubChem CID59009897
Molecular FormulaC12H16Br2
Molecular Weight320.07 g/mol
Exact Mass317.96
IUPAC Name1,3-dibromo-2-(3-methylpentyl)benzene
SMILESCCC(C)CCc1c(Br)cccc1Br
InChIInChI=1S/C12H16Br2/c1-3-9(2)7-8-10-11(13)5-4-6-12(10)14/h4-6,9H,3,7-8H2,1-2H3
InChIKeyVCNYEUKXWLPSDG-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.07
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,5-bis(3-methylpentyl)naphthalene
CID 18760982
1-bromo-4-(3-methylpentyl)benzene
CID 156726956
5-bromo-1,3-difluoro-2-[(3R)-3-methylpentyl]benzene
CID 58807411
1-(3-methylpentyl)-3-propan-2-ylbenzene
CID 168942891
1-chloro-3-(3-methylpentyl)benzene
CID 57308391
1-bromo-2-ethyl-3-(3-methylbutan-2-yl)benzene
CID 163799068
1,4-bis(4-methylhexyl)benzene
CID 145016441
2-(3-methylpentyl)pyrimidine
CID 57256204
(2R)-3-(2-bromo-6-ethylphenyl)-2-methylpropan-1-ol
CID 130371455
4-(2-bromophenyl)-2-methylbutan-1-amine
CID 64664319
CID 160937062
CID 160937062
1,3-dibromo-2-(3-methoxypropyl)benzene
CID 163724839

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-(3-methylpentyl)benzene?
The IUPAC name of 1,3-dibromo-2-(3-methylpentyl)benzene (CID 59009897) is 1,3-dibromo-2-(3-methylpentyl)benzene.
What is the SMILES notation for 1,3-dibromo-2-(3-methylpentyl)benzene?
The canonical SMILES for 1,3-dibromo-2-(3-methylpentyl)benzene is CCC(C)CCc1c(Br)cccc1Br.
What is the InChIKey of 1,3-dibromo-2-(3-methylpentyl)benzene?
The InChIKey is VCNYEUKXWLPSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2/c1-3-9(2)7-8-10-11(13)5-4-6-12(10)14/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 1,3-dibromo-2-(3-methylpentyl)benzene?
1,3-dibromo-2-(3-methylpentyl)benzene has a molecular weight of 320.07 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-2-(3-methylpentyl)benzene is sourced from PubChem (CID 59009897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).