Identiteit

Methylionone

Niet vermeld · C14H22O

01Identiteit

Lazychem IDLC-48902
CAS RNNiet vermeld
PubChem CID5371084
Molecular formulaC14H22O
Molecular weight206.32 g/mol
IUPAC name(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
InChIKeyVPKMGDRERYMTJX-CMDGGOBGSA-N

02Structuur en stereochemie

2D structurePubChem CID 5371084
Two-dimensional chemical structure of Methylionone
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
SMILESCCC(=O)/C=C/C1C(=CCCC1(C)C)C
InChINiet vermeld

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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.

04Status in India

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

05Namen en relaties

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      06Bronnen