(Z)-Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan
PubChem CID: 6436627
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| Compound Synonyms | Ocimen quintoxide, 56058-70-9, (Z)-Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, 9EPP1J4WO9, 2,2-Dimethyl-5-(1-methylpropenyl)tetrhydrofuran, Tetrahydro-2,2-dimethyl-5-(1-methylpropenyl)furan, 2,2-Dimethyl-5-(1-methylpropen-1-yl)tetrahydrofuran, Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (Z)-, Furan, tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-, (Z)-, Ocimene quintoxide, 2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran, FEMA No. 3665, 7416-35-5, EINECS 259-975-8, UNII-9EPP1J4WO9, UNII-C1371LCG89, EINECS 231-028-3, Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, Tetrahydrofuran, 2,2-dimethyl-5-(1-methylpropenyl), 2,2-dimethyl-5-(1 -methyl-1-propenyl)-tetrahydrofuran, 2,2-Dimethyl-5-[(1E)-1-methyl-1-propenyl]tetrahydrofuran, Furan, tetrahydro-2,2-dimethyl-5-(1-methylpropenyl)-, SCHEMBL2008022, FEMA 3665, LPEYLSKLVYWOEQ-YVMONPNESA-N, C1371LCG89, DTXSID801185615, FEMA NO. 3665, Z-, NS00087394, Tetrahydro-2,2-dimethyl-5-(1-methylpropenyl)-Furan, 2,2-Dimethyl-5-(1-methyl-1-propenyl)tetrahydrofuran, Q27272457, 5-[(2Z)-BUT-2-EN-2-YL]-2,2-DIMETHYLOXOLANE, Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-Furan, (+/-)-2,2-Dimethyl-5-(1-methyl-1-propenyl)tetrahydrofuran, Tetrahydro-2,2-dimethyl-5-[(1Z)-1-methyl-1-propen-1-yl]furan, (+/-)-TETRAHYDRO-2,2-DIMETHYL-5-(1-METHYL-1-PROPENYL)FURAN, (Z)- |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Description | Ocimen quintoxide is a flavouring ingredient. It is found in lime oil (Citrus aurantifolia). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[(Z)-but-2-en-2-yl]-2,2-dimethyloxolane |
| Prediction Hob | 1.0 |
| Class | Tetrahydrofurans |
| Xlogp | 2.7 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | LPEYLSKLVYWOEQ-YVMONPNESA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 1.0 |
| Synonyms | (+/-)-2,2-Dimethyl-5-(1-methyl-1-propenyl)tetrahydrofuran, (E)-Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, 2,2-dimethyl-5-(1 -methyl-1-propenyl)-tetrahydrofuran, 2,2-Dimethyl-5-(1-methyl-1-propenyl)tetrahydrofuran, 2,2-Dimethyl-5-(1-methylpropen-1-yl)tetrahydrofuran, 2,2-dimethyl-5-(1-methylpropenyl)tetrahydrofuran, 2,2-Dimethyl-5-(1-methylpropenyl)tetrhydrofuran, 2,2-Dimethyl-5-[(1E)-1-methyl-1-propenyl]tetrahydrofuran, FEMA 3665, Furan, tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-, Furan, tetrahydro-2,2-dimethyl-5-(1-methylpropenyl)-, Ocimen quintoxide, Ocimene quintoxide, Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-furan, Tetrahydro-2,2-dimethyl-5-(1-methylpropenyl)-furan, Tetrahydro-2,2-dimethyl-5-(1-methylpropenyl)furan, Tetrahydrofuran, 2,2-dimethyl-5-(1-methylpropenyl), (+/-)-2,2-dimethyl-5-(1-methyl-1-propenyl)tetrahydrofuran, (e)-tetrahydro-2,2-Dimethyl-5-(1-methyl-1-propenyl)furan, 2,2-Dimethyl-5-(1 -methyl-1-propenyl)-tetrahydrofuran, 2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran, tetrahydro-2,2-Dimethyl-5-(1-methyl-1-propenyl)-furan, tetrahydro-2,2-Dimethyl-5-(1-methylpropenyl)-furan, tetrahydro-2,2-Dimethyl-5-(1-methylpropenyl)furan |
| Compound Name | (Z)-Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -2.4439686000000003 |
| Inchi | InChI=1S/C10H18O/c1-5-8(2)9-6-7-10(3,4)11-9/h5,9H,6-7H2,1-4H3/b8-5- |
| Smiles | C/C=C(/C)\C1CCC(O1)(C)C |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Tetrahydrofurans |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Aurantifolia (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Aurantiifolia (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all