1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene

C14H21Br — CID 79418529

IUPAC1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene
SMILESCc1ccccc1C(CBr)CCC(C)C
InChIInChI=1S/C14H21Br/c1-11(2)8-9-13(10-15)14-7-5-4-6-12(14)3/h4-7,11,13H,8-10H2,1-3H3
InChIKeyIWIJHUNPZLDIFX-UHFFFAOYSA-N
MW269.23 g/mol
LogP4.91
Rot. Bonds5

About 1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene

1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene (PubChem CID 79418529) has the molecular formula C14H21Br and a molecular weight of 269.23 g/mol. Its IUPAC name is 1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene.

Molecular Properties

Compound Name1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene
PubChem CID79418529
Molecular FormulaC14H21Br
Molecular Weight269.23 g/mol
Exact Mass268.08
IUPAC Name1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene
SMILESCc1ccccc1C(CBr)CCC(C)C
InChIInChI=1S/C14H21Br/c1-11(2)8-9-13(10-15)14-7-5-4-6-12(14)3/h4-7,11,13H,8-10H2,1-3H3
InChIKeyIWIJHUNPZLDIFX-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-bromooctan-2-yl)-2-methylbenzene
CID 79419011
1-(1-bromo-5-methoxypentan-2-yl)-2-methylbenzene
CID 79418534
1-(1-bromo-6-methoxyhexan-2-yl)-2-methylbenzene
CID 104650718
1-(1-bromo-3-phenylpropan-2-yl)-2-methylbenzene
CID 79418449
2-[4-bromo-3-(2-methylphenyl)butyl]thiophene
CID 79418362
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
CID 171229467
1-[3-bromo-2-(2-methylphenyl)propyl]-3,5-dimethylbenzene
CID 79418694
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
4-[4-bromo-3-(2-methylphenyl)butyl]-1-methylpyrazole
CID 103018532
1-(1-bromo-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 102940983
1-(1-chloro-4-methylpentan-2-yl)-2-methylbenzene
CID 79419088
1-methyl-2-(7-methylnonan-4-yl)benzene
CID 143620943

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene?
The IUPAC name of 1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene (CID 79418529) is 1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene.
What is the SMILES notation for 1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene?
The canonical SMILES for 1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene is Cc1ccccc1C(CBr)CCC(C)C.
What is the InChIKey of 1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene?
The InChIKey is IWIJHUNPZLDIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br/c1-11(2)8-9-13(10-15)14-7-5-4-6-12(14)3/h4-7,11,13H,8-10H2,1-3H3.
What are the key properties of 1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene?
1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene has a molecular weight of 269.23 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-5-methylhexan-2-yl)-2-methylbenzene is sourced from PubChem (CID 79418529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).