Identitāte

trans-Ethyl 2-hydroxycyclohexanecarboxylate

Nav norādīts · C9H16O3

01Identitāte

Lazychem ID	LC-99001
CAS RN	Nav norādīts
PubChem CID	1268212
Molecular formula	C9H16O3
Molecular weight	172.22 g/mol
IUPAC name	trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
InChIKey	WOGRTPJVNNCUKN-HTQZYQBOSA-N

02Struktūra un stereoķīmija

Two-dimensional chemical structure of trans-Ethyl 2-hydroxycyclohexanecarboxylate — 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, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	1
Secondary amines	0
Tertiary amines	0

SMILES	CCOC(=O)[C@@H]1CCCC[C@H]1O
InChI	Nav norādīts

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before 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.