2-Heptylcyclopentanone

C12H22OCAS 137-03-1182.31 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C12H22O
Molar mass
182.31 g/mol
Exact mass
182.1671 Da
Density
0.8871 g/mL (at 20 °C)
Boiling point
130 °C (at 10 Torr)
logP
3.72Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 1,693 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, P501

Identifiers

CAS number
137-03-1
SMILES
CCCCCCCC1CCCC1=O
InChIKey
PJXHBTZLHITWFX-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11H,2-10H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Cyclopentanone, 2-heptyl-
  • Alismone
  • 2-(n-Heptyl)cyclopentanone
  • 2-Heptylcyclopentan-1-one
  • NSC 78468
  • Fleuramone
  • Projasmone P

Work with 2-Heptylcyclopentanone

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-Hexylcyclopentanone13074-65-2100 % similar 2-Hexyldecanoic acid25354-97-655 % similar 2-Methyl-3-heptanone13019-20-050 % similar δ-Tetradecalactone2721-22-450 % similar Delta-UNDECALACTONE710-04-350 % similar δ-Dodecalactone713-95-150 % similar 2-[(Dimethylamino)methyl]cyclohexanone hydrochloride42036-65-749 % similar Ethyl 2-(2-oxocyclopentyl)acetate20826-94-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Dodecenal20407-84-5 13-Oxabicyclo[10.1.0]tridecane286-99-7 Codlemone33956-49-9 Geranyl ethyl ether40267-72-9 Cyclododecanone830-13-7

Elsewhere

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