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Ingredients

1(3h)-isobenzofuranone,3-butyl-3a,4,5,6-tetrahydro-,cis-(-)-

C12H18O2

Entity Type
Ingredients
Relation Groups
4
Relation Preview
29

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
1(3h)-isobenzofuranone,3-butyl-3a,4,5,6-tetrahydro-,cis-(-)-
Molecular Formula
C12H18O2
Molecular Weight
No data
Canonical SMILES
CCCCC1C2CCCC=C2C(=O)O1
Isomeric SMILES
CCCC[C@H]1[C@@H]2CCCC=C2C(=O)O1
InChI
InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11+/m1/s1
Oral Bioavailability
65.032
Drug Likeness
0.646
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.