(3Z)-3,4-Dimethyl-3-hexene

C8H16CAS 19550-87-9112.22 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C8H16
Molar mass
112.22 g/mol
Exact mass
112.1252 Da
logP
3.14Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2
Double bonds
ZE/Z, in SMILES order

Hazards

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

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Identifiers

CAS number
19550-87-9
SMILES
CC/C(C)=C(/C)CC
InChIKey
XTUXVDJHGIEBAA-FPLPWBNLSA-N
InChI
InChI=1S/C8H16/c1-5-7(3)8(4)6-2/h5-6H2,1-4H3/b8-7-

Weigh it out

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

Names and synonyms

6 names
  • 3-Hexene, 3,4-dimethyl-, (3Z)-
  • 3-Hexene, 3,4-dimethyl-, (Z)-
  • cis-3,4-Dimethyl-3-hexene
  • (Z)-3,4-Dimethyl-3-hexene
  • 3,4-Dimethyl-cis-3-hexene
  • (Z)-3,4-Dimethylhex-3-ene

Work with (3Z)-3,4-Dimethyl-3-hexene

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

2-Methyl-1-butene563-46-239 % similar Butanone78-93-339 % similar 1,5-Dihydro-3-ethyl-4-methyl-2H-pyrrol-2-one766-36-936 % similar 1,2,3,4-Tetramethylcyclopentadiene4249-10-935 % similar 3,4-Hexanedione4437-51-835 % similar 3-Methylenepentane760-21-435 % similar 3-Pentanone96-22-035 % similar 3-Methyl-2-pentene922-61-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,4-Trimethyl-1-pentene107-39-1 2,4,4-Trimethyl-2-pentene107-40-4 Isooctene11071-47-9 1-Octene111-66-0 2-Octene111-67-1 2-Octene13389-42-9 trans-4-Octene14850-23-8 trans-3-Octene14919-01-8

Elsewhere

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