GHI
Summary
| Name: | (1S,4S,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane |
| Synonyms: | -(-) limonene oxide |
| Formula: | C10 H16 O |
| Formal charge: | 0 |
| Formula weight: | 152.233 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,4S,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane |
| OpenEye OEToolkits | 2.0.7 | (1~{S},4~{S},6~{R})-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC12CCC(CC2O1)C(=C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1 |
| InChIKey | InChI | 1.03 | CCEFMUBVSUDRLG-AEJSXWLSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=C)[C@H]1CC[C@]2(C)O[C@@H]2C1 |
| SMILES | CACTVS | 3.385 | CC(=C)[CH]1CC[C]2(C)O[CH]2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=C)[C@H]1CC[C@]2([C@@H](C1)O2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=C)C1CCC2(C(C1)O2)C |
