2,6-dioxabicyclo[3.1.0]hex-3-en-3-ylmethanol

C5H6O3 — CID 134860457

IUPAC2,6-dioxabicyclo[3.1.0]hex-3-en-3-ylmethanol
SMILESOCC1=CC2OC2O1
InChIInChI=1S/C5H6O3/c6-2-3-1-4-5(7-3)8-4/h1,4-6H,2H2
InChIKeySRYNQVRJFQXSTJ-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.38
Rot. Bonds1

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

2,6-dioxabicyclo[3.1.0]hex-3-en-3-ylmethanol (PubChem CID 134860457) has the molecular formula C5H6O3 and a molecular weight of 114.10 g/mol. Its IUPAC name is 2,6-dioxabicyclo[3.1.0]hex-3-en-3-ylmethanol.

Molecular Properties

Compound Name2,6-dioxabicyclo[3.1.0]hex-3-en-3-ylmethanol
PubChem CID134860457
Molecular FormulaC5H6O3
Molecular Weight114.10 g/mol
Exact Mass114.03
IUPAC Name2,6-dioxabicyclo[3.1.0]hex-3-en-3-ylmethanol
SMILESOCC1=CC2OC2O1
InChIInChI=1S/C5H6O3/c6-2-3-1-4-5(7-3)8-4/h1,4-6H,2H2
InChIKeySRYNQVRJFQXSTJ-UHFFFAOYSA-N
XLogP-0.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.38
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-3-ylmethanol?
The IUPAC name of 2,6-dioxabicyclo[3.1.0]hex-3-en-3-ylmethanol (CID 134860457) is 2,6-dioxabicyclo[3.1.0]hex-3-en-3-ylmethanol.
What is the SMILES notation for 2,6-dioxabicyclo[3.1.0]hex-3-en-3-ylmethanol?
The canonical SMILES for 2,6-dioxabicyclo[3.1.0]hex-3-en-3-ylmethanol is OCC1=CC2OC2O1.
What is the InChIKey of 2,6-dioxabicyclo[3.1.0]hex-3-en-3-ylmethanol?
The InChIKey is SRYNQVRJFQXSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3/c6-2-3-1-4-5(7-3)8-4/h1,4-6H,2H2.
What are the key properties of 2,6-dioxabicyclo[3.1.0]hex-3-en-3-ylmethanol?
2,6-dioxabicyclo[3.1.0]hex-3-en-3-ylmethanol has a molecular weight of 114.10 g/mol, XLogP of -0.38, 1 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-3-ylmethanol is sourced from PubChem (CID 134860457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).