(2E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne

C₉H₁₃BrCAS 78629-21-7201.11 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Alkyne

Properties

Molecular formula: C₉H₁₃Br
Molar mass: 201.11 g/mol
Exact mass: 200.0201 Da
logP: 2.99Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

78629-21-7

SMILES

CC(C)(C)C#C/C=C/CBr

InChIKey

OOLYZFSILFGXCC-GQCTYLIASA-N

InChI

InChI=1S/C9H13Br/c1-9(2,3)7-5-4-6-8-10/h4,6H,8H2,1-3H3/b6-4+

Weigh it out

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

Names and synonyms

3 names

2-Hepten-4-yne, 1-bromo-6,6-dimethyl-, (2E)-
2-Hepten-4-yne, 1-bromo-6,6-dimethyl-, (E)-
(E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne

Work with (2E)-1-Bromo-6,6-dimethyl-2-hepten-4-yne

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-Hydroxy-6,6-dimethyl-2-heptene-4-yne114311-70-557 % similar 1-Chloro-6,6-dimethyl-2-hepten-4-yne126764-17-857 % similar (2E)-N,6,6-Trimethyl-2-hepten-4-yn-1-amine83554-69-253 % similar 1,4-Dibromo-2-butene6974-12-535 % similar trans-1,4-Dibromo-2-butene821-06-735 % similar 1-Bromo-2-butene4784-77-435 % similar Terbinafine91161-71-634 % similar Terbinafine hydrochloride78628-80-532 % similar

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

Same formula

1-Bromo-6,6-dimethylhept-2-en-4-yne126764-15-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook