13-Ethyl-3-methoxygona-2,5(10)-dien-17-one

C20H28O2CAS 2322-77-2300.44 g/mol

Open in Covalent MOL file
OO
AlkeneEtherKetone

Properties

Molecular formula
C20H28O2
Molar mass
300.44 g/mol
Exact mass
300.2089 Da
Melting point
122–124 °C
logP
4.80Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2
Stereocentres
S, S, R, Sin SMILES atom order

Hazards

Warning
Environmental Hazard (GHS09)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
2322-77-2
SMILES
CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CCC2=O)CC(OC)=CC4
InChIKey
PQMRKLSVUBRLLQ-XSYGEPLQSA-N
InChI
InChI=1S/C20H28O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,16-18H,3-4,6-12H2,1-2H3/t16-,17-,18+,20+/m1/s1

Weigh it out

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

Names and synonyms

3 names
  • Gona-2,5(10)-dien-17-one, 13-ethyl-3-methoxy-
  • 13-β-Ethyl-3-methoxy-gona-2,5(10)-dien-17-one
  • Methoxygonadiene

Work with 13-Ethyl-3-methoxygona-2,5(10)-dien-17-one

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

13-Ethylgon-4-ene-3,17-dione21800-83-944 % similar (±)-13β-Ethylgon-4-ene-3,17-dione23477-67-044 % similar Estr-5(10)-ene-3,17-dione3962-66-141 % similar 1,4,5,8-Tetrahydro-2,7-dimethoxynaphthalene1614-82-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

17Beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-one1039-17-4 5,8,11-Eicosatriynoic acid13488-22-7 Dehydroabietic acid1740-19-8 Retinoic acid302-79-4 Isotretinoin4759-48-2 9-cis-Retinoic acid5300-03-8 Methandrostenolone72-63-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook