Estr-5(10)-ene-3,17-dione

C₁₈H₂₄O₂CAS 3962-66-1272.39 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₂₄O₂
Molar mass: 272.39 g/mol
Exact mass: 272.1776 Da
Melting point: 144–146 °C
logP: 3.84Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

3962-66-1

SMILES

C[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CCC2=O)CC(=O)CC4

InChIKey

RORYLAUXKSWMQL-CBZIJGRNSA-N

InChI

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h14-16H,2-10H2,1H3/t14-,15-,16+,18+/m1/s1

Weigh it out

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

Work with Estr-5(10)-ene-3,17-dione

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

Same formula

Estradiol50-28-2 17α-Estradiol57-91-0 17β-Hydroxyestra-4,9-dien-3-one6218-29-7 (+)-Estr-4-ene-3,17-dione734-32-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook