1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene

C14H19Br — CID 79590247

IUPAC1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene
SMILESCC(=CCCBr)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H19Br/c1-10(6-5-7-15)14-9-12(3)11(2)8-13(14)4/h6,8-9H,5,7H2,1-4H3
InChIKeyXJCMODSKCHQULH-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.80
Rot. Bonds3

About 1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene

1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene (PubChem CID 79590247) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene.

Molecular Properties

Compound Name1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene
PubChem CID79590247
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene
SMILESCC(=CCCBr)c1cc(C)c(C)cc1C
InChIInChI=1S/C14H19Br/c1-10(6-5-7-15)14-9-12(3)11(2)8-13(14)4/h6,8-9H,5,7H2,1-4H3
InChIKeyXJCMODSKCHQULH-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene?
The IUPAC name of 1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene (CID 79590247) is 1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene.
What is the SMILES notation for 1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene?
The canonical SMILES for 1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene is CC(=CCCBr)c1cc(C)c(C)cc1C.
What is the InChIKey of 1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene?
The InChIKey is XJCMODSKCHQULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-10(6-5-7-15)14-9-12(3)11(2)8-13(14)4/h6,8-9H,5,7H2,1-4H3.
What are the key properties of 1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene?
1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene has a molecular weight of 267.21 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopent-2-en-2-yl)-2,4,5-trimethylbenzene is sourced from PubChem (CID 79590247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).