Identidad

Octane-1,3-diol

No indicado · C8H18O2

01Identidad

Lazychem IDLC-118527
CAS RNNo indicado
PubChem CID90927
Molecular formulaC8H18O2
Molecular weight146.23 g/mol
IUPAC nameoctane-1,3-diol
InChIKeyDCTMXCOHGKSXIZ-UHFFFAOYSA-N

02Estructura y estereoquímica

2D structurePubChem CID 90927
Two-dimensional chemical structure of Octane-1,3-diol
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count0
Secondary amines0
Tertiary amines0
SMILESCCCCCC(CCO)O
InChINo indicado

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.

04Estado en India

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

05Nombres y relaciones

API y fármaco de origen

No indicado

Nombres y relaciones

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      06Fuentes