6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene

C15H14O3 — CID 19796070

IUPAC6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene
SMILESC=Cc1ccccc1.CC1CC2=C1C(=O)OC2=O
InChIInChI=1S/C8H8.C7H6O3/c1-2-8-6-4-3-5-7-8;1-3-2-4-5(3)7(9)10-6(4)8/h2-7H,1H2;3H,2H2,1H3
InChIKeyOUYIFWQAVMGULR-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.74
Rot. Bonds1

About 6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene

6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene (PubChem CID 19796070) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene.

Molecular Properties

Compound Name6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene
PubChem CID19796070
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene
SMILESC=Cc1ccccc1.CC1CC2=C1C(=O)OC2=O
InChIInChI=1S/C8H8.C7H6O3/c1-2-8-6-4-3-5-7-8;1-3-2-4-5(3)7(9)10-6(4)8/h2-7H,1H2;3H,2H2,1H3
InChIKeyOUYIFWQAVMGULR-UHFFFAOYSA-N
XLogP2.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene?
The IUPAC name of 6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene (CID 19796070) is 6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene.
What is the SMILES notation for 6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene?
The canonical SMILES for 6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene is C=Cc1ccccc1.CC1CC2=C1C(=O)OC2=O.
What is the InChIKey of 6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene?
The InChIKey is OUYIFWQAVMGULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C7H6O3/c1-2-8-6-4-3-5-7-8;1-3-2-4-5(3)7(9)10-6(4)8/h2-7H,1H2;3H,2H2,1H3.
What are the key properties of 6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene?
6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene has a molecular weight of 242.27 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene is sourced from PubChem (CID 19796070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).