3-oxabicyclo[3.2.1]oct-1-ene

C7H10O — CID 67230524

IUPAC3-oxabicyclo[3.2.1]oct-1-ene
SMILESC1=C2CCC(CO1)C2
InChIInChI=1S/C7H10O/c1-2-7-3-6(1)4-8-5-7/h4,7H,1-3,5H2
InChIKeyKLDBEOFDKCAISC-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.70
Rot. Bonds

About 3-oxabicyclo[3.2.1]oct-1-ene

3-oxabicyclo[3.2.1]oct-1-ene (PubChem CID 67230524) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-oxabicyclo[3.2.1]oct-1-ene.

Molecular Properties

Compound Name3-oxabicyclo[3.2.1]oct-1-ene
PubChem CID67230524
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name3-oxabicyclo[3.2.1]oct-1-ene
SMILESC1=C2CCC(CO1)C2
InChIInChI=1S/C7H10O/c1-2-7-3-6(1)4-8-5-7/h4,7H,1-3,5H2
InChIKeyKLDBEOFDKCAISC-UHFFFAOYSA-N
XLogP1.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-oxabicyclo[3.2.1]oct-1-ene?
The IUPAC name of 3-oxabicyclo[3.2.1]oct-1-ene (CID 67230524) is 3-oxabicyclo[3.2.1]oct-1-ene.
What is the SMILES notation for 3-oxabicyclo[3.2.1]oct-1-ene?
The canonical SMILES for 3-oxabicyclo[3.2.1]oct-1-ene is C1=C2CCC(CO1)C2.
What is the InChIKey of 3-oxabicyclo[3.2.1]oct-1-ene?
The InChIKey is KLDBEOFDKCAISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-7-3-6(1)4-8-5-7/h4,7H,1-3,5H2.
What are the key properties of 3-oxabicyclo[3.2.1]oct-1-ene?
3-oxabicyclo[3.2.1]oct-1-ene has a molecular weight of 110.16 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxabicyclo[3.2.1]oct-1-ene is sourced from PubChem (CID 67230524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).