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2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-

PubChem CID: 22310

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Compound Synonyms Linalool oxide, 60047-17-8, Linalyl oxide, Epoxylinalool, linalooloxide, Linolool oxide, 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol, 2-(2-Hydroxy-2-propyl)-5-methyl-5-vinyltetrahydrofuran, EINECS 262-038-6, 2-Methyl-2-vinyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran, 5-(1-Hydroxy-1-methylethyl)-2-methyl-2-vinyltetrahydrofuran, BRN 0117527, 2,6-Dimethyl-3,6-oxido-7-oxten-2-ol, 2-(Tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol, 2-Methyl-2-vinyl-5-(2-hydroxy-2-propyl)tetrahydrofuran, alpha,alpha,5-Trimethyl-5-vinyltetrahydrofurfuryl alcohol, 5-Ethenyltetrahydro-alpha,alpha,5-trimethyl-2-furanmethanol, 2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, 2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-, 5-17-03-00253 (Beilstein Handbook Reference), 2-(5-Methyl-5-vinyltetrahydro-1-furyl)-2-propanol, NSC 93936, 2-(5-Methyl-5-vinyltetrahydrofuran-2-yl)propan-2-ol, 2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-, cis-, 34995-77-2, Linalool oxide B, Tetrahydro-alpha,alpha,5-trimethyl-5-vinylfuran-2-methanol, linalool oxide (furanoid), (Z)-Linalool oxide (furanoid), trans-5-Ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-2-furanmethanol, Furan linalool oxide, Linalool oxide, cis, Linalool 3,6-oxide, cis-Linalol furanoxide, cis-Linalool furan oxide, cis-Linalool oxide furan, (Z)-Linalool furanoxide, cis-Furanic linalool oxid, cis-Linalool-3,6-oxide, Z-Furanoid linalool oxide, Z-linalool oxide (furan), (Z)-Furan linalool oxide, 2-(5-Methyl-5-vinyltetrahydro-2-furanyl)-2-propanol, Linalool oxide, cis-furanoid, cis-Linalyl oxide (furanoid), 68780-91-6, cis-linalool oxide (furanoid), Linalool oxide (cis-furanoid), SCHEMBL295274, (Z)-Linalool oxide, furanoid, (E)-linalool oxide (furanoid), (Z)-Linalool oxyde (furanoid), 2-(5-ETHENYL-5-METHYL-OXOLAN-2-YL)PROPAN-2-OL, CHEBI:88534, cis-Linalool oxide (furan type), FEMA 3746, cis-Linalol oxide (furan isomer), DTXSID60863673, cis-Linalool oxide (furanyl ring), Linalool oxide B ((Z)-furanoid), Linalool oxide, natural, >=95%, cis-Linalool oxide (furanoid form), JBA99577, NSC93936, Furfuryl alcohol, tetrahydro-.alpha.,.alpha.,5-trimethyl-5-vinyl-, NSC-93936, 2-Furanmethanol,.alpha.,5-trimethyl-, AKOS040759301, 2,6-Dimethyl-3,6-oxido-7-octen-2-ol, DA-54935, LS-13871, DB-266963, L0143, NS00012789, D91255, EN300-176284, 2-(5-Methyl-5-vinyltetrahydro-2-furyl)-2-propanol, Q27160424, 2-(5-Methyl-5-vinyltetrahydro-2-furanyl)-2-propanol #, 5-Ethenyltetrahydro-a,a,5-trimethyl-2-furanmethanol, 9CI, 2-((2R,5S)-5-Methyl-5-vinyltetrahydrofuran-2-yl)propan-2-ol, Tetrahydro-2-methyl-5-(1-hydroxy-1-methylethyl)-2-vinylfuran, 5-Ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-cis-2-furanmethanol, cis-5-Ethenyltetrahydro-.alpha.,.alpha.,5-Trimethyl-2-furanmethanol, Z-2-Ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-furanmethanol, Furfuryl alcohol, tetrahydro-.alpha.,.alpha.,5-trimethyl-5-vinyl-, cis-, 262-038-6
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 12.0
Description Isolated from Citrus paradisi (grapefruit), Thea sinensis (tea) and many other sources. Flavouring ingredient This is the furanoid form of linalool oxide, there are 4 possible stereo-isomers. Linalool 3,6-oxide is found in many foods, some of which are ginger, tea, citrus, and fig.
Isotope Atom Count 0.0
Molecular Complexity 186.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol
Prediction Hob 1.0
Class Tetrahydrofurans
Xlogp 1.4
Superclass Organoheterocyclic compounds
Molecular Formula C10H18O2
Prediction Swissadme 1.0
Inchi Key BRHDDEIRQPDPMG-UHFFFAOYSA-N
Fcsp3 0.8
Logs -0.777
Rotatable Bond Count 2.0
State Solid
Logd 1.341
Synonyms 2-(5-Methyl-5-vinyltetrahydro-2-furanyl)-2-propanol, 2-(Tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol, 2-Methyl-2-vinyl-5-(1-hydroxy-1-methylethyl)tetrahydrofuran, 2-Methyl-2-vinyl-5-(2-hydroxy-2-propyl)tetrahydrofuran, 2,6-Dimethyl-3,6-oxido-7-octen-2-ol, 5-(1-Hydroxy-1-methylethyl)-2-methyl-2-vinyltetrahydrofuran, 5-Ethenyltetrahydro-a,a,5-trimethyl-2-furanmethanol, 9CI, 5-Ethenyltetrahydro-alpha,alpha,5-trimethyl-2-furanmethanol, alpha,alpha,5-Trimethyl-5-vinyltetrahydrofurfuryl alcohol, FEMA 3746, Furan linalool oxide, Linalool 3,6-oxide, Linalyl oxide, Tetrahydro-2-methyl-5-(1-hydroxy-1-methylethyl)-2-vinylfuran, Tetrahydro-alpha,alpha,5-trimethyl-5-vinylfuran-2-methanol, Linalool oxide, trans-, Linalool, epoxydihydro-, trans- (8CI), trans-Linalool oxide, Epoxydihydrolinalool, Epoxylinalool, Linalool epoxide, Linalool monoxide, Linalool oxide, Linolool oxide, 5-Ethenyltetrahydro-a,a,5-trimethyl-2-furanmethanol, 9ci, 11,15-dioxo-3beta,7beta-Dihydroxy-5alpha-lanost-8-en-24-Oic acid, 3b,7b,28-Trihydroxy-11,15-dioxo-25,26,27-trisnorlanost-8-en-24-Oic acid, 3b,7b-Dihydroxy-4a-hydroxymethyl-4b,14a-dimethyl-11,15-dioxo-5a-chol-8-en-24-Oic acid, 9ci, 4-[5,9-Dihydroxy-6-(hydroxymethyl)-2,6,11,15-tetramethyl-12,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoate, Lucidenate H, 2-(tetrahydro-5-Methyl-5-vinyl-2-furyl)propan-2-ol, 5-ethenyltetrahydro-a,a,5-Trimethyl-2-furanmethanol, 9ci, 5-ethenyltetrahydro-alpha,alpha,5-Trimethyl-2-furanmethanol, tetrahydro-2-Methyl-5-(1-hydroxy-1-methylethyl)-2-vinylfuran, tetrahydro-alpha,alpha,5-Trimethyl-5-vinylfuran-2-methanol
Compound Name 2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-
Kingdom Organic compounds
Prediction Hob Swissadme 1.0
Exact Mass 170.131
Formal Charge 0.0
Monoisotopic Mass 170.131
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 170.25
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic heteromonocyclic compounds
Esol -2.2944624
Inchi InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3
Smiles CC1(CCC(O1)C(C)(C)O)C=C
Nring 1.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Tetrahydrofurans