Azonosítás

Thujone

Nincs megadva · C10H16O

01Azonosítás

Lazychem IDLC-110449
CAS RNNincs megadva
PubChem CID261491
Molecular formulaC10H16O
Molecular weight152.23 g/mol
IUPAC name(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
InChIKeyUSMNOWBWPHYOEA-MRTMQBJTSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 261491
Two-dimensional chemical structure of Thujone
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count2
Secondary amines0
Tertiary amines0
SMILESC[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C
InChINincs megadva

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Indiai státusz

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nevek és kapcsolatok

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Nevek és kapcsolatok

    Szennyezők és rokon vegyületek

      06Források