3-oxabicyclo[4.1.0]hept-4-ene

C6H8O — CID 91282244

IUPAC3-oxabicyclo[4.1.0]hept-4-ene
SMILESC1=CC2CC2CO1
InChIInChI=1S/C6H8O/c1-2-7-4-6-3-5(1)6/h1-2,5-6H,3-4H2
InChIKeyNOOGBTPXQCZFAY-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.17
Rot. Bonds

About 3-oxabicyclo[4.1.0]hept-4-ene

3-oxabicyclo[4.1.0]hept-4-ene (PubChem CID 91282244) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 3-oxabicyclo[4.1.0]hept-4-ene.

Molecular Properties

Compound Name3-oxabicyclo[4.1.0]hept-4-ene
PubChem CID91282244
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name3-oxabicyclo[4.1.0]hept-4-ene
SMILESC1=CC2CC2CO1
InChIInChI=1S/C6H8O/c1-2-7-4-6-3-5(1)6/h1-2,5-6H,3-4H2
InChIKeyNOOGBTPXQCZFAY-UHFFFAOYSA-N
XLogP1.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-oxabicyclo[4.1.0]hept-4-ene?
The IUPAC name of 3-oxabicyclo[4.1.0]hept-4-ene (CID 91282244) is 3-oxabicyclo[4.1.0]hept-4-ene.
What is the SMILES notation for 3-oxabicyclo[4.1.0]hept-4-ene?
The canonical SMILES for 3-oxabicyclo[4.1.0]hept-4-ene is C1=CC2CC2CO1.
What is the InChIKey of 3-oxabicyclo[4.1.0]hept-4-ene?
The InChIKey is NOOGBTPXQCZFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-2-7-4-6-3-5(1)6/h1-2,5-6H,3-4H2.
What are the key properties of 3-oxabicyclo[4.1.0]hept-4-ene?
3-oxabicyclo[4.1.0]hept-4-ene has a molecular weight of 96.13 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxabicyclo[4.1.0]hept-4-ene is sourced from PubChem (CID 91282244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).