Androstenone

C₁₉H₂₈OCAS 18339-16-7272.43 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₂₈O
Molar mass: 272.43 g/mol
Exact mass: 272.2140 Da
Melting point: 102 °C
logP: 4.76Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0
Stereocentres: S, S, R, S, R, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers
H351 Suspected of causing cancer100% of notifiers
H360 May damage fertility or the unborn child100% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers

Aggregated from 17 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501

Identifiers

CAS number

18339-16-7

SMILES

C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C=CC[C@@H]12

InChIKey

HFVMLYAGWXSTQI-QYXZOKGRSA-N

InChI

InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1

Weigh it out

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

Names and synonyms

7 names

Androst-16-en-3-one, (5α)-
5α-Androst-16-en-3-one
(5α)-Androst-16-en-3-one
E 282
5α-Androst-16-ene-3-one
5α-Androstenone
16,(5α)-Androsten-3-one

Work with Androstenone

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

Dihydrotestosterone521-18-659 % similar 5α-Androst-16-en-3α-ol1153-51-158 % similar Androstanedione846-46-858 % similar 5Alpha-Dihydroprogesterone566-65-457 % similar Mestanolone521-11-956 % similar Cholestanone26264-62-053 % similar 1α-Methyl-5α-androstan-17β-ol-3-one1424-00-639 % similar 1-Testosterone65-06-537 % similar

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

Same formula

Androsta-4,16-dien-3β-ol23062-06-8 5α-Androst-2-en-17-one963-75-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia