Showing Metabocard for limonene 1,2-epoxide (BASm0000620)
| Common Name | Limonene 1,2-epoxide |
|---|---|
| Description | 1,2-Epoxy-p-menth-8-ene is found in citrus. 1,2-Epoxy-p-menth-8-ene is isolated from oil of Cymbopogon species, orange (Citrus sinensis), Japanese pepper tree (Zanthoxylum piperitum) and other |
| Structure | |
| Molecular Formula | C10H16O |
| Average Mass | 152.23340 |
| Monoisotopic Mass | 152.12012 |
| IUPAC Name | 1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane |
| Traditional Name | Limonene 1,2-epoxide |
| CAS Registry Number | 1195-92-2 |
| SMILES | C=C(C)C1CCC2(C)OC2C1 |
| InChI Identifier | InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3 |
| InChI Key | CCEFMUBVSUDRLG-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:16431 |
| HMDB ID | HMDB0035158 |
| State | Not Available |
| Water Solubility | 3.51e-01 g/l |
| logP | 2.81 |
| logS | -2.64 |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | -4.22 |
| Hydrogen Acceptor Count | 1 |
| Hydrogen Donor Count | 0 |
| Polar Surface Area | 12.53 Ų |
| Rotatable Bond Count | 1 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 45.24 m³·mol⁻¹ |
| Polarizability | 18.21 |