5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one

C10H14O3 — CID 123863605

IUPAC5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
SMILESCC1CCC(O)C=CC=CC(=O)O1
InChIInChI=1S/C10H14O3/c1-8-6-7-9(11)4-2-3-5-10(12)13-8/h2-5,8-9,11H,6-7H2,1H3
InChIKeySEURXENDYJJSDO-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.19
Rot. Bonds

About 5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one

5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one (PubChem CID 123863605) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one.

Molecular Properties

Compound Name5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
PubChem CID123863605
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
SMILESCC1CCC(O)C=CC=CC(=O)O1
InChIInChI=1S/C10H14O3/c1-8-6-7-9(11)4-2-3-5-10(12)13-8/h2-5,8-9,11H,6-7H2,1H3
InChIKeySEURXENDYJJSDO-UHFFFAOYSA-N
XLogP1.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one?
The IUPAC name of 5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one (CID 123863605) is 5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one.
What is the SMILES notation for 5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one?
The canonical SMILES for 5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one is CC1CCC(O)C=CC=CC(=O)O1.
What is the InChIKey of 5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one?
The InChIKey is SEURXENDYJJSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-8-6-7-9(11)4-2-3-5-10(12)13-8/h2-5,8-9,11H,6-7H2,1H3.
What are the key properties of 5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one?
5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one has a molecular weight of 182.22 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one is sourced from PubChem (CID 123863605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).