7-(Bromomethyl)pentadecane

C₁₆H₃₃BrCAS 52997-43-0305.34 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₃₃Br
Molar mass: 305.34 g/mol
Exact mass: 304.1766 Da
Boiling point: 114–118 °C (at 0.5 Torr)
logP: 6.72Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 13

Identifiers

CAS number

52997-43-0

SMILES

CCCCCCCCC(CBr)CCCCCC

InChIKey

RWEKWRQKAHQYNE-UHFFFAOYSA-N

InChI

InChI=1S/C16H33Br/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16H,3-15H2,1-2H3

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

Names and synonyms

4 names

Pentadecane, 7-(bromomethyl)-
2-Hexyldecyl bromide
1-Bromo-2-hexyl-decane
2-Hexyl-1-bromodecane

Work with 7-(Bromomethyl)pentadecane

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

Pentylcyclohexane4292-92-667 % similar Heptylcyclohexane5617-41-467 % similar (Bromomethyl)cyclopentane3814-30-065 % similar 2-Ethylhexyl bromide18908-66-264 % similar Butylcyclohexane1678-93-959 % similar (Bromomethyl)cyclobutane17247-58-457 % similar Butylcyclopentane2040-95-155 % similar 2-Hexyl-1-decanol2425-77-654 % similar

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

Same formula

1-Bromohexadecane112-82-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook