3-(hydroxymethyl)-5,5-bis(methoxymethyl)-1,4,6,6a-tetrahydropentalen-2-one

Systemtic Name: 3-(hydroxymethyl)-5,5-bis(methoxymethyl)-1,4,6,6a-tetrahydropentalen-2-one Openeye Name: 3-(hydroxymethyl)-5,5-bis(methoxymethyl)-1,4,6,6a-tetrahydropentalen-2-one CAS Name: 3-(hydroxymethyl)-5,5-bis(methoxymethyl)-1,4,6,6a-tetrahydropentalen-2-one IUPAC Name: 3-(hydroxymethyl)-5,5-bis(methoxymethyl)-1,4,6,6a-tetrahydropentalen-2-one Traditional Name: 5,5-bis(methoxymethyl)-3-methylol-1,4,6,6a-tetrahydropentalen-2-one Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(CC2CC(=O)C(=C2C1)CO)COC

Isomeric SMILES

COCC1(CC2CC(=O)C(=C2C1)CO)COC

InChI

InChI=1S/C13H20O4/c1-16-7-13(8-17-2)4-9-3-12(15)11(6-14)10(9)5-13/h9,14H,3-8H2,1-2H3