(7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione

C11H14O3 — CID 5314441

IUPAC(7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione
SMILESCOC1=CC(=O)C2C(C1=O)[C@H](C)[C@H]2C
InChIInChI=1S/C11H14O3/c1-5-6(2)10-9(5)7(12)4-8(14-3)11(10)13/h4-6,9-10H,1-3H3/t5-,6-,9?,10?/m1/s1
InChIKeyQIYQQCLXMLGGRN-ZATFNUDQSA-N
MW194.23 g/mol
LogP1.19
Rot. Bonds1

About (7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione

(7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione (PubChem CID 5314441) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione.

Molecular Properties

Compound Name(7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione
PubChem CID5314441
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione
SMILESCOC1=CC(=O)C2C(C1=O)[C@H](C)[C@H]2C
InChIInChI=1S/C11H14O3/c1-5-6(2)10-9(5)7(12)4-8(14-3)11(10)13/h4-6,9-10H,1-3H3/t5-,6-,9?,10?/m1/s1
InChIKeyQIYQQCLXMLGGRN-ZATFNUDQSA-N
XLogP1.19
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione?
The IUPAC name of (7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione (CID 5314441) is (7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione.
What is the SMILES notation for (7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione?
The canonical SMILES for (7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione is COC1=CC(=O)C2C(C1=O)[C@H](C)[C@H]2C.
What is the InChIKey of (7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione?
The InChIKey is QIYQQCLXMLGGRN-ZATFNUDQSA-N. The full InChI is InChI=1S/C11H14O3/c1-5-6(2)10-9(5)7(12)4-8(14-3)11(10)13/h4-6,9-10H,1-3H3/t5-,6-,9?,10?/m1/s1.
What are the key properties of (7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione?
(7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione has a molecular weight of 194.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-3-methoxy-7,8-dimethylbicyclo[4.2.0]oct-3-ene-2,5-dione is sourced from PubChem (CID 5314441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).