Tunnistetiedot

beta-Ionol, (E)-

Ei ilmoitettu · C13H22O

01Tunnistetiedot

Lazychem IDLC-48896
CAS RNEi ilmoitettu
PubChem CID5373729
Molecular formulaC13H22O
Molecular weight194.31 g/mol
IUPAC name(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
InChIKeyCNOPDZWOYFOHGN-BQYQJAHWSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 5373729
Two-dimensional chemical structure of beta-Ionol, (E)-
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
SMILESCC1=C(C(CCC1)(C)C)/C=C/C(C)O
InChIEi ilmoitettu

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.

04Tila Intiassa

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

05Nimet ja suhteet

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      06Lähteet