chempirical

1-Bromo-5-methylhexane

C7H15BrCAS 35354-37-1179.10 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C7H15Br
Molar mass
179.10 g/mol
Exact mass
178.0357 Da
logP
3.21Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
35354-37-1
SMILES
CC(C)CCCCBr
InChIKey
XAOFMTDKQYEOES-UHFFFAOYSA-N
InChI
InChI=1S/C7H15Br/c1-7(2)5-3-4-6-8/h7H,3-6H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Bromo-5-methylhexane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-4-methylpentane626-88-083 % similar 2,7-Dimethyloctane1072-16-865 % similar 1-Bromo-3-methylbutane107-82-463 % similar Squalane111-01-350 % similar 2-Methylheptane592-27-850 % similar Isododecane31807-55-348 % similar 2-Methyloctane3221-61-248 % similar 2-Methyldecane6975-98-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Bromoheptane1974-04-5 3-Bromoheptane1974-05-6 1-Bromoheptane629-04-9

Elsewhere

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