2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol

C4H4O3 — CID 141493791

IUPAC2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol
SMILESOC12OC=CC1O2
InChIInChI=1S/C4H4O3/c5-4-3(7-4)1-2-6-4/h1-3,5H
InChIKeyPTIJYXUXQISNIA-UHFFFAOYSA-N
MW100.07 g/mol
LogP-0.42
Rot. Bonds

About 2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol

2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol (PubChem CID 141493791) has the molecular formula C4H4O3 and a molecular weight of 100.07 g/mol. Its IUPAC name is 2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol.

Molecular Properties

Compound Name2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol
PubChem CID141493791
Molecular FormulaC4H4O3
Molecular Weight100.07 g/mol
Exact Mass100.02
IUPAC Name2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol
SMILESOC12OC=CC1O2
InChIInChI=1S/C4H4O3/c5-4-3(7-4)1-2-6-4/h1-3,5H
InChIKeyPTIJYXUXQISNIA-UHFFFAOYSA-N
XLogP-0.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.07
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol?
The IUPAC name of 2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol (CID 141493791) is 2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol.
What is the SMILES notation for 2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol?
The canonical SMILES for 2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol is OC12OC=CC1O2.
What is the InChIKey of 2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol?
The InChIKey is PTIJYXUXQISNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O3/c5-4-3(7-4)1-2-6-4/h1-3,5H.
What are the key properties of 2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol?
2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol has a molecular weight of 100.07 g/mol, XLogP of -0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxabicyclo[3.1.0]hex-3-en-1-ol is sourced from PubChem (CID 141493791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).