6-oxabicyclo[3.2.0]hept-3-ene

C6H8O — CID 176739282

IUPAC6-oxabicyclo[3.2.0]hept-3-ene
SMILESC1=CC2OCC2C1
InChIInChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2
InChIKeySZDKPBCICKQNQD-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.96
Rot. Bonds

About 6-oxabicyclo[3.2.0]hept-3-ene

6-oxabicyclo[3.2.0]hept-3-ene (PubChem CID 176739282) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 6-oxabicyclo[3.2.0]hept-3-ene.

Molecular Properties

Compound Name6-oxabicyclo[3.2.0]hept-3-ene
PubChem CID176739282
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name6-oxabicyclo[3.2.0]hept-3-ene
SMILESC1=CC2OCC2C1
InChIInChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2
InChIKeySZDKPBCICKQNQD-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-3-ol
CID 130152044
(3aR,6aS)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one
CID 11400761
2-cyclobut-2-en-1-yloxirane
CID 150243675
1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-ol
CID 73178447
(1R,5S)-bicyclo[3.2.0]hept-2-ene
CID 141236414
(3aR,6aR)-3-methylidene-4,6a-dihydro-3aH-cyclopenta[b]furan-2-one
CID 131859522
(4aR,8R,8aR)-8-methylsulfonyl-4a,5,8,8a-tetrahydro-4H-1,3-benzodioxine
CID 101047555
(1R,5R)-9-oxabicyclo[3.3.1]nona-2,6-diene
CID 11434937
(1R,5S,6S)-bicyclo[3.2.0]hept-3-en-6-ol
CID 11116009
(1R,5S,6S,7R)-6,7-dideuteriobicyclo[3.2.0]hept-2-ene
CID 136742471
(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 12721347
3-iodocyclobutene
CID 88872191

Frequently Asked Questions

What is the IUPAC name of 6-oxabicyclo[3.2.0]hept-3-ene?
The IUPAC name of 6-oxabicyclo[3.2.0]hept-3-ene (CID 176739282) is 6-oxabicyclo[3.2.0]hept-3-ene.
What is the SMILES notation for 6-oxabicyclo[3.2.0]hept-3-ene?
The canonical SMILES for 6-oxabicyclo[3.2.0]hept-3-ene is C1=CC2OCC2C1.
What is the InChIKey of 6-oxabicyclo[3.2.0]hept-3-ene?
The InChIKey is SZDKPBCICKQNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-2-5-4-7-6(5)3-1/h1,3,5-6H,2,4H2.
What are the key properties of 6-oxabicyclo[3.2.0]hept-3-ene?
6-oxabicyclo[3.2.0]hept-3-ene has a molecular weight of 96.13 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxabicyclo[3.2.0]hept-3-ene is sourced from PubChem (CID 176739282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).