6-Hydroxydihydrotheaspirane
PubChem CID: 65428
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| Compound Synonyms | 6-Hydroxydihydrotheaspirane, 53398-90-6, 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol, FEMA No. 3549, UNII-OIZ7G4LWV8, OIZ7G4LWV8, 2,6,10,10-Tetramethyl-1-oxaspiro(4.5)decan-6-ol, 6-Hydroxy-2,6,10,10-tetramethyl-1-oxaspiro(4.5)decane, 1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, DTXSID701015780, 65620-50-0, 6-HYDROXYDIHYDROTHEASPIRANE [FHFI], (+/-)-6-HYDROXYDIHYDROTHEASPIRANE, 6-HYDROXYDIHYDROTHEASPIRANE, (+/-)-, 6-HYDROXY-2,6,10,10-TETRAMETHYL-1-OXASPIRO[4.5]DECANE, 2,6,6,10-Tetramethyl-1-oxaspiro[4.5]decan-10-ol, SCHEMBL579382, DTXCID1030812, FEMA 3549, CHEBI:156191, NS00020431, NS00086591, Q27285679, 2,6,10,10-tetramethyl- 1-oxa-spiro[4.5]decan-6-ol, 2,6,10,10-tetramethyl-1-oxa-spiro[4,5]decan-6-ol, 2,6,10,10-tetramethyl-1-oxa-spiro[4.5]decan-6-ol, 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol, 9CI |
|---|---|
| Topological Polar Surface Area | 29.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Description | Flavouring ingredient with camphoraceous, woody, green odour. Constituent of black tea [DFC]. 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 261.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol |
| Nih Violation | False |
| Class | Tetrahydrofurans |
| Xlogp | 2.5 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Molecular Formula | C13H24O2 |
| Inchi Key | LJOISVFAMDWVFA-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, 2,6,10,10-Tetramethyl-1-oxaspiro(4.5)decan-6-ol, 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol, 9CI, 6-Hydroxy-2,6,10,10-tetramethyl-1-oxaspiro(4.5)decane, 6-Hydroxydihydrotheaspirane, FEMA 3549, 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol, 9ci |
| Compound Name | 6-Hydroxydihydrotheaspirane |
| Kingdom | Organic compounds |
| Exact Mass | 212.178 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 212.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 212.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C13H24O2/c1-10-6-9-13(15-10)11(2,3)7-5-8-12(13,4)14/h10,14H,5-9H2,1-4H3 |
| Smiles | CC1CCC2(O1)C(CCCC2(C)O)(C)C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Tetrahydrofurans |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all