3-ethyl-8-oxabicyclo[3.2.1]octane

C9H16O — CID 22965768

IUPAC3-ethyl-8-oxabicyclo[3.2.1]octane
SMILESCCC1CC2CCC(C1)O2
InChIInChI=1S/C9H16O/c1-2-7-5-8-3-4-9(6-7)10-8/h7-9H,2-6H2,1H3
InChIKeyFJPZFYPTOFWBKC-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.35
Rot. Bonds1

About 3-ethyl-8-oxabicyclo[3.2.1]octane

3-ethyl-8-oxabicyclo[3.2.1]octane (PubChem CID 22965768) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethyl-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-ethyl-8-oxabicyclo[3.2.1]octane
PubChem CID22965768
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-ethyl-8-oxabicyclo[3.2.1]octane
SMILESCCC1CC2CCC(C1)O2
InChIInChI=1S/C9H16O/c1-2-7-5-8-3-4-9(6-7)10-8/h7-9H,2-6H2,1H3
InChIKeyFJPZFYPTOFWBKC-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-oxabicyclo[3.2.1]octane?
The IUPAC name of 3-ethyl-8-oxabicyclo[3.2.1]octane (CID 22965768) is 3-ethyl-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 3-ethyl-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for 3-ethyl-8-oxabicyclo[3.2.1]octane is CCC1CC2CCC(C1)O2.
What is the InChIKey of 3-ethyl-8-oxabicyclo[3.2.1]octane?
The InChIKey is FJPZFYPTOFWBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-7-5-8-3-4-9(6-7)10-8/h7-9H,2-6H2,1H3.
What are the key properties of 3-ethyl-8-oxabicyclo[3.2.1]octane?
3-ethyl-8-oxabicyclo[3.2.1]octane has a molecular weight of 140.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 22965768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).