2-(2-bromodecyl)-1,4-dimethylbenzene

C18H29Br — CID 65427966

IUPAC2-(2-bromodecyl)-1,4-dimethylbenzene
SMILESCCCCCCCCC(Br)Cc1cc(C)ccc1C
InChIInChI=1S/C18H29Br/c1-4-5-6-7-8-9-10-18(19)14-17-13-15(2)11-12-16(17)3/h11-13,18H,4-10,14H2,1-3H3
InChIKeySXOXSILOPSIBHR-UHFFFAOYSA-N
MW325.33 g/mol
LogP6.36
Rot. Bonds9

About 2-(2-bromodecyl)-1,4-dimethylbenzene

2-(2-bromodecyl)-1,4-dimethylbenzene (PubChem CID 65427966) has the molecular formula C18H29Br and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-(2-bromodecyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(2-bromodecyl)-1,4-dimethylbenzene
PubChem CID65427966
Molecular FormulaC18H29Br
Molecular Weight325.33 g/mol
Exact Mass324.15
IUPAC Name2-(2-bromodecyl)-1,4-dimethylbenzene
SMILESCCCCCCCCC(Br)Cc1cc(C)ccc1C
InChIInChI=1S/C18H29Br/c1-4-5-6-7-8-9-10-18(19)14-17-13-15(2)11-12-16(17)3/h11-13,18H,4-10,14H2,1-3H3
InChIKeySXOXSILOPSIBHR-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.33
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromodecyl)-4-methylbenzene
CID 65427581
2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene
CID 63559949
1-(2-bromodecyl)naphthalene
CID 65428546
2-bromotridecylbenzene
CID 65427778
1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol
CID 114981430
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
1-(5-fluoro-2-methylphenyl)undecan-2-amine
CID 105377088
1-(2-bromooctyl)-2-methoxybenzene
CID 114753891
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125
2-(2-bromotridecyl)-3-methylpyridine
CID 66452472
1-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 61482090
6-bromopentadecane
CID 86639780

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromodecyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(2-bromodecyl)-1,4-dimethylbenzene (CID 65427966) is 2-(2-bromodecyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(2-bromodecyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(2-bromodecyl)-1,4-dimethylbenzene is CCCCCCCCC(Br)Cc1cc(C)ccc1C.
What is the InChIKey of 2-(2-bromodecyl)-1,4-dimethylbenzene?
The InChIKey is SXOXSILOPSIBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29Br/c1-4-5-6-7-8-9-10-18(19)14-17-13-15(2)11-12-16(17)3/h11-13,18H,4-10,14H2,1-3H3.
What are the key properties of 2-(2-bromodecyl)-1,4-dimethylbenzene?
2-(2-bromodecyl)-1,4-dimethylbenzene has a molecular weight of 325.33 g/mol, XLogP of 6.36, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromodecyl)-1,4-dimethylbenzene is sourced from PubChem (CID 65427966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).