(6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one

C10H16O3 — CID 5366152

IUPAC(6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
SMILESCC1CCC/C=C/C(O)CC(=O)O1
InChIInChI=1S/C10H16O3/c1-8-5-3-2-4-6-9(11)7-10(12)13-8/h4,6,8-9,11H,2-3,5,7H2,1H3/b6-4+
InChIKeyQBMOXZAUNMFTMZ-GQCTYLIASA-N
MW184.23 g/mol
LogP1.41
Rot. Bonds

About (6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one

(6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one (PubChem CID 5366152) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one.

Molecular Properties

Compound Name(6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
PubChem CID5366152
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one
SMILESCC1CCC/C=C/C(O)CC(=O)O1
InChIInChI=1S/C10H16O3/c1-8-5-3-2-4-6-9(11)7-10(12)13-8/h4,6,8-9,11H,2-3,5,7H2,1H3/b6-4+
InChIKeyQBMOXZAUNMFTMZ-GQCTYLIASA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one?
The IUPAC name of (6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one (CID 5366152) is (6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one.
What is the SMILES notation for (6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one?
The canonical SMILES for (6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one is CC1CCC/C=C/C(O)CC(=O)O1.
What is the InChIKey of (6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one?
The InChIKey is QBMOXZAUNMFTMZ-GQCTYLIASA-N. The full InChI is InChI=1S/C10H16O3/c1-8-5-3-2-4-6-9(11)7-10(12)13-8/h4,6,8-9,11H,2-3,5,7H2,1H3/b6-4+.
What are the key properties of (6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one?
(6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one has a molecular weight of 184.23 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-hydroxy-2-methyl-2,3,4,5,8,9-hexahydrooxecin-10-one is sourced from PubChem (CID 5366152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).