5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol

C8H14O2 — CID 20675022

IUPAC5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol
SMILESCCC1CC(O)CC2OC12
InChIInChI=1S/C8H14O2/c1-2-5-3-6(9)4-7-8(5)10-7/h5-9H,2-4H2,1H3
InChIKeyWUXORGQBOZEGMA-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.93
Rot. Bonds1

About 5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol

5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol (PubChem CID 20675022) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol.

Molecular Properties

Compound Name5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol
PubChem CID20675022
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol
SMILESCCC1CC(O)CC2OC12
InChIInChI=1S/C8H14O2/c1-2-5-3-6(9)4-7-8(5)10-7/h5-9H,2-4H2,1H3
InChIKeyWUXORGQBOZEGMA-UHFFFAOYSA-N
XLogP0.93
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol?
The IUPAC name of 5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol (CID 20675022) is 5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol.
What is the SMILES notation for 5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol?
The canonical SMILES for 5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol is CCC1CC(O)CC2OC12.
What is the InChIKey of 5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol?
The InChIKey is WUXORGQBOZEGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-5-3-6(9)4-7-8(5)10-7/h5-9H,2-4H2,1H3.
What are the key properties of 5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol?
5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol has a molecular weight of 142.20 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-oxabicyclo[4.1.0]heptan-3-ol is sourced from PubChem (CID 20675022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).