2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one

C8H10O3 — CID 14890741

IUPAC2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESO=C1CC2C=CC(O2)C1CO
InChIInChI=1S/C8H10O3/c9-4-6-7(10)3-5-1-2-8(6)11-5/h1-2,5-6,8-9H,3-4H2
InChIKeyWYGCUCBPZPMNBF-UHFFFAOYSA-N
MW154.16 g/mol
LogP-0.11
Rot. Bonds1

About 2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one

2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one (PubChem CID 14890741) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one
PubChem CID14890741
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one
SMILESO=C1CC2C=CC(O2)C1CO
InChIInChI=1S/C8H10O3/c9-4-6-7(10)3-5-1-2-8(6)11-5/h1-2,5-6,8-9H,3-4H2
InChIKeyWYGCUCBPZPMNBF-UHFFFAOYSA-N
XLogP-0.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 5-0.11
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 2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The IUPAC name of 2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one (CID 14890741) is 2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one.
What is the SMILES notation for 2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The canonical SMILES for 2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one is O=C1CC2C=CC(O2)C1CO.
What is the InChIKey of 2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one?
The InChIKey is WYGCUCBPZPMNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-4-6-7(10)3-5-1-2-8(6)11-5/h1-2,5-6,8-9H,3-4H2.
What are the key properties of 2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one?
2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one has a molecular weight of 154.16 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-one is sourced from PubChem (CID 14890741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).