1-Bromo-3,7-dimethylocta-2,6-diene

HCID 80228

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)=CCCC(C)=CCBr
InChIKey: JSCUZAYKVZXKQE-UHFFFAOYSA-N
Molecular formula: C10H17Br
Average molar mass: 217.15 g/mol

Names & identifiers

Preferred name: 1-Bromo-3,7-dimethylocta-2,6-diene
IUPAC: 1-bromo-3,7-dimethylocta-2,6-diene

Names & synonyms

1-bromo-3,7-dimethylocta-2,6-diene1-bromo-3,7-dimethyl-octa-2,6-dienetrans-Geranyl bromide;(2E)-Geranyl bromide35719-26-7SCHEMBL492565JSCUZAYKVZXKQE-UHFFFAOYSA-NABA996101-bromo-3,7-dimethyl-2,6-octadiene3,7-dimethyl-2,6-octadienyl bromide3,7-dimethylocta-2,6-dienyl bromide1-bromo-3,7-dimethyl-octa- 2,6-diene

Database identifiers

PubChem CID: 80228

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 150

Related reactions

40 records

New reaction record

HRID 119524As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 138170As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 144932As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 151092As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 151914As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 152161As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 161262As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 175060As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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