chempirical

Dihydrojasmone

C11H18OCAS 1128-08-1166.26 g/mol

Open in Covalent MOL file
O
AlkeneKetone

Properties

Molecular formula
C11H18O
Molar mass
166.26 g/mol
Exact mass
166.1358 Da
Density
0.9176 g/mL (at 20 °C)
Boiling point
75–76 °C (at 1 Torr)
logP
3.25Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,635 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
1128-08-1
SMILES
CCCCCC1=C(C)CCC1=O
InChIKey
YCIXWYOBMVNGTB-UHFFFAOYSA-N
InChI
InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • 2-Cyclopenten-1-one, 3-methyl-2-pentyl-
  • 3-Methyl-2-pentyl-2-cyclopenten-1-one
  • 3-Methyl-2-pentyl-2-cyclopentenone
  • 2-Pentyl-3-methyl-2-cyclopentenone
  • 2-Amyl-3-methyl-2-cyclopentenone
  • NSC 71928
  • 2-n-Pentyl-3-methyl-2-cyclopenten-1-one

Reactions

Work with Dihydrojasmone

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

Jasmone488-10-849 % similar 2-Heptanone110-43-047 % similar 2-Octanone111-13-745 % similar 2-Undecanone112-12-945 % similar 2-Tetradecanone2345-27-945 % similar 2-Pentadecanone2345-28-045 % similar 2-Tridecanone593-08-845 % similar 2-Dodecanone6175-49-145 % similar

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

Same formula

2,4-Undecadienal30361-29-6 2-Heptylfuran3777-71-7 Beta-HOMOCYCLOCITRAL472-66-2 2-Methyl-2-adamantanol702-98-7 Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol770-71-8

Elsewhere

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