(+)-Limonene oxide
PubChem CID: 441245
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| Compound Synonyms | 203719-54-4, Limonene-1,2-epoxide, (4R)-Limonene-1,2-epoxide, (+)-Limonene oxide, (4R)-4-Isopropyl-1-methyl-7-oxabicyclo[4.1.0]heptane, (4R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane, (4R)-limonene 1,2-epoxide, CHEBI:35672, (R)-Limonene 1,2-oxide, 1,2-epoxy-4betaH-p-menth-8-ene, (4R)-4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane, (4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane, (+)-Limonene 1,2-epoxide, (4R)-1-Methyl-4-(prop-1-en-2-yl)-7-oxabicyclo(4.1.0)heptane, (4R)-1-Methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane, (R)-Limonene Epoxide, , (R)-Limonene epoxide, D-1,2-Epoxylimonene, Limonene oxide, (+)-, d-Limonene-1,2-epoxide, bmse000963, Epitope ID:123904, UNII-278IM94GXB, (+)-limonene-1,2-epoxide, SCHEMBL231723, FEMA No. 4655, 278IM94GXB, d-1,2-Epoxy-p-menth-8-ene, D-8-p-Menthene-1,2-epoxide, a (4R)-limonene-1,2-epoxide, CHEMBL2288024, NIOSH/OT0175040, a (4R)-1,2-epoxymenth-8-ene, (+)-LIMONENE 1 2-EPOXIDE, 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)-, (4R)-, AKOS025402507, LMPR0102090015, FI157370, CS-0197836, OT01750400, C07271, D97383, EN300-218932, (+)-Limonene oxide,mixture of cis/trans isomers, (+)-4-Isopropenyl-1-methylcyclohexene 1,2-oxide, Q27104318, Z1255431222, (4R)-1-Methyl-4-(1-methylethenyl)-7-oxabicyclo[4.1.0]heptane, 7-Oxabicyclo(4.1.0)heptane, 1-methyl-4-(1-methylethenyl)-, (4R) |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 197.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CCEFMUBVSUDRLG-XNWIYYODSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.831 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.276 |
| Compound Name | (+)-Limonene oxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7338694 |
| Inchi | 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?/m1/s1 |
| Smiles | CC(=C)[C@@H]1CCC2(C(C1)O2)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Piper Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all