4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one

C8H10O2 — CID 91519459

IUPAC4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one
SMILESCC1OCC2=C(CC2)C1=O
InChIInChI=1S/C8H10O2/c1-5-8(9)7-3-2-6(7)4-10-5/h5H,2-4H2,1H3
InChIKeyOGKQVVJZCJCSKM-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.06
Rot. Bonds

About 4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one

4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one (PubChem CID 91519459) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one.

Molecular Properties

Compound Name4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one
PubChem CID91519459
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one
SMILESCC1OCC2=C(CC2)C1=O
InChIInChI=1S/C8H10O2/c1-5-8(9)7-3-2-6(7)4-10-5/h5H,2-4H2,1H3
InChIKeyOGKQVVJZCJCSKM-UHFFFAOYSA-N
XLogP1.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Methoxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 135083330
7-Ethoxybicyclo[4.2.0]oct-1(6)-en-2-one
CID 135083331
3,4-dimethyl-6-pentyl-2H-pyran-5-one
CID 69345598
6-hexyl-3,4-dimethyl-2H-pyran-5-one
CID 69345871
3,4-dimethyl-6-propyl-2H-pyran-5-one
CID 69345890
6-butyl-3,4-dimethyl-2H-pyran-5-one
CID 69346729
4-Methoxy-2-methyl-3-(3-methylbut-3-enyl)cyclobut-2-en-1-one
CID 10511587
4-butyl-2H-pyran-5-one
CID 12570450
3-methyl-4-[(2-methyl-5-oxocyclopenten-1-yl)methyl]-2H-pyran-5-one
CID 143279251

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one?
The IUPAC name of 4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one (CID 91519459) is 4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one.
What is the SMILES notation for 4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one?
The canonical SMILES for 4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one is CC1OCC2=C(CC2)C1=O.
What is the InChIKey of 4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one?
The InChIKey is OGKQVVJZCJCSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-5-8(9)7-3-2-6(7)4-10-5/h5H,2-4H2,1H3.
What are the key properties of 4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one?
4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one has a molecular weight of 138.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxabicyclo[4.2.0]oct-1(6)-en-5-one is sourced from PubChem (CID 91519459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).