6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene

C8H12O — CID 59283327

IUPAC6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene
SMILESCC1C2=C(OCC2)C1C
InChIInChI=1S/C8H12O/c1-5-6(2)8-7(5)3-4-9-8/h5-6H,3-4H2,1-2H3
InChIKeyAZCPXCYBUYQNLV-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.95
Rot. Bonds

About 6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene

6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene (PubChem CID 59283327) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene.

Molecular Properties

Compound Name6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene
PubChem CID59283327
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene
SMILESCC1C2=C(OCC2)C1C
InChIInChI=1S/C8H12O/c1-5-6(2)8-7(5)3-4-9-8/h5-6H,3-4H2,1-2H3
InChIKeyAZCPXCYBUYQNLV-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
The IUPAC name of 6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene (CID 59283327) is 6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene.
What is the SMILES notation for 6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
The canonical SMILES for 6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene is CC1C2=C(OCC2)C1C.
What is the InChIKey of 6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
The InChIKey is AZCPXCYBUYQNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-5-6(2)8-7(5)3-4-9-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene has a molecular weight of 124.18 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene is sourced from PubChem (CID 59283327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).