7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol

C7H10O2 — CID 19779552

IUPAC7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol
SMILESOCC1=CCC2OC2C1
InChIInChI=1S/C7H10O2/c8-4-5-1-2-6-7(3-5)9-6/h1,6-8H,2-4H2
InChIKeyFWZFLTQABOAHHQ-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.47
Rot. Bonds1

About 7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol

7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol (PubChem CID 19779552) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol.

Molecular Properties

Compound Name7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol
PubChem CID19779552
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol
SMILESOCC1=CCC2OC2C1
InChIInChI=1S/C7H10O2/c8-4-5-1-2-6-7(3-5)9-6/h1,6-8H,2-4H2
InChIKeyFWZFLTQABOAHHQ-UHFFFAOYSA-N
XLogP0.47
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol?
The IUPAC name of 7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol (CID 19779552) is 7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol.
What is the SMILES notation for 7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol?
The canonical SMILES for 7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol is OCC1=CCC2OC2C1.
What is the InChIKey of 7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol?
The InChIKey is FWZFLTQABOAHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-4-5-1-2-6-7(3-5)9-6/h1,6-8H,2-4H2.
What are the key properties of 7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol?
7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol has a molecular weight of 126.16 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[4.1.0]hept-3-en-3-ylmethanol is sourced from PubChem (CID 19779552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).