1-ethyl-9-oxabicyclo[6.1.0]nonane

C10H18O — CID 19373802

IUPAC1-ethyl-9-oxabicyclo[6.1.0]nonane
SMILESCCC12CCCCCCC1O2
InChIInChI=1S/C10H18O/c1-2-10-8-6-4-3-5-7-9(10)11-10/h9H,2-8H2,1H3
InChIKeyPJOBOFXURNMBDA-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.89
Rot. Bonds1

About 1-ethyl-9-oxabicyclo[6.1.0]nonane

1-ethyl-9-oxabicyclo[6.1.0]nonane (PubChem CID 19373802) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-ethyl-9-oxabicyclo[6.1.0]nonane.

Molecular Properties

Compound Name1-ethyl-9-oxabicyclo[6.1.0]nonane
PubChem CID19373802
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-ethyl-9-oxabicyclo[6.1.0]nonane
SMILESCCC12CCCCCCC1O2
InChIInChI=1S/C10H18O/c1-2-10-8-6-4-3-5-7-9(10)11-10/h9H,2-8H2,1H3
InChIKeyPJOBOFXURNMBDA-UHFFFAOYSA-N
XLogP2.89
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-ethyl-9-oxabicyclo[6.1.0]nonane?
The IUPAC name of 1-ethyl-9-oxabicyclo[6.1.0]nonane (CID 19373802) is 1-ethyl-9-oxabicyclo[6.1.0]nonane.
What is the SMILES notation for 1-ethyl-9-oxabicyclo[6.1.0]nonane?
The canonical SMILES for 1-ethyl-9-oxabicyclo[6.1.0]nonane is CCC12CCCCCCC1O2.
What is the InChIKey of 1-ethyl-9-oxabicyclo[6.1.0]nonane?
The InChIKey is PJOBOFXURNMBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-10-8-6-4-3-5-7-9(10)11-10/h9H,2-8H2,1H3.
What are the key properties of 1-ethyl-9-oxabicyclo[6.1.0]nonane?
1-ethyl-9-oxabicyclo[6.1.0]nonane has a molecular weight of 154.25 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-oxabicyclo[6.1.0]nonane is sourced from PubChem (CID 19373802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).