Tetrahydrolinalool
PubChem CID: 6548
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| Compound Synonyms | 3,7-Dimethyloctan-3-ol, TETRAHYDROLINALOOL, 78-69-3, 3,7-Dimethyl-3-octanol, 3-Octanol, 3,7-dimethyl-, 2,6-Dimethyl-6-octanol, Linalool tetrahydride, 3,7-Dimethyloctanol-3, TETRAHYDRO LINALOOL, FEMA No. 3060, EINECS 201-133-9, EINECS 260-912-1, UNII-UM4XS5M134, NSC 128151, (1)-3,7-Dimethyloctan-3-ol, CHEBI:84242, AI3-24903, NSC-128151, UM4XS5M134, TETRAHYDROLINALOOL [FCC], DTXSID7029110, DLHQZZUEERVIGQ-UHFFFAOYSA-, FEMA 3060, TETRAHYDROLINALOOL [FHFI], EC 201-133-9, DTXCID409110, CAS-78-69-3, 57706-88-4, MFCD00004482, NSC128151, 2,6Dimethyl6octanol, 3,7Dimethyloctan3ol, 3,7Dimethyloctanol3, 3-Octanol,7-dimethyl-, 3Octanol, 3,7dimethyl, (1)3,7Dimethyloctan3ol, SCHEMBL21627, CHEMBL3183871, 3,7-Dimethyl-3-octanol, 98%, Tetrahydrolinalool, >=97%, FCC, .+/-.-3,7-Dimethyl-3-octanol, AAA07869, BCP08646, Tox21_202390, Tox21_303468, AKOS015841872, CS-W016195, NCGC00249219-01, NCGC00257472-01, NCGC00259939-01, DS-16458, 3,7-Dimethyl-3-octanol, analytical standard, 3-Octanol, 3,7-dimethyl-, (.+/-.)-, NS00003469, T0991, D78122, EN300-179834, Q27157612 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CCCCCCCC)C)))))O)C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Flavouring ingredient |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 99.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P19838 |
| Iupac Name | 3,7-dimethyloctan-3-ol |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.3 |
| Superclass | Organic oxygen compounds |
| Subclass | Alcohols and polyols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H22O |
| Inchi Key | DLHQZZUEERVIGQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | 3,7-Dimethyl-3-octanol, 2,6-Dimethyl-6-octanol, FEMA 3060, Tetrahydrolinalool, 3,7-Dimethyloctan-3-ol, tetra hydrolinalool, tetrahydro linalool, tetrahydro-linalool, tetrahydrolinalool |
| Esol Class | Soluble |
| Functional Groups | CO |
| Compound Name | Tetrahydrolinalool |
| Kingdom | Organic compounds |
| Exact Mass | 158.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 158.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 158.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3 |
| Smiles | CCC(C)(CCCC(C)C)O |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Tertiary alcohols |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Boswellia Serrata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1772 - 2. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643676 - 3. Outgoing r'ship
FOUND_INto/from Cyperus Difformis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1413956 - 4. Outgoing r'ship
FOUND_INto/from Solanum Americanum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.895194