Dihydromyrcenol
PubChem CID: 29096
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| Compound Synonyms | Dihydromyrcenol, 18479-58-8, 2,6-Dimethyloct-7-en-2-ol, 2,6-Dimethyl-7-octen-2-ol, 7-OCTEN-2-OL, 2,6-DIMETHYL-, 1,1,5-trimethyl-6-heptenol, BRN 1840872, Dihydro-, A, EINECS 242-362-4, EINECS 246-787-6, UNII-46L1B02ND9, DTXSID8029317, CHEBI:87528, (1)-2,6-Dimethyloct-7-en-2-ol, Myrcenol, 6,10-dihydro, 3,7-Dimethyl-1-octen-7-ol, DTXCID609317, 2,6-Dimethyl-oct-7-en-2-ol, EC 242-362-4, 46L1B02ND9, MFCD00004474, Dihydromyrcenol, 99%, Dihydromyrcenol, >=99%, DSSTox_CID_9317, DSSTox_RID_79776, DSSTox_GSID_41557, SCHEMBL29192, CHEMBL3184487, DTXSID6041557, Dihydromyrcenol, analytical standard, Tox21_200132, Tox21_302391, AKOS015903381, NCGC00248536-01, NCGC00255603-01, NCGC00257686-01, AS-56700, PD042685, CAS-18479-58-8, CAS-53219-21-9, CS-0204503, NS00006389, 2,6-DIMETHYL-7-OCTEN-2-OL [INCI], E79376, EN300-366410, Q4465009, 2,6-Dimethyl-7-octen-2-ol, 1,1,5-Trimethyl-6-heptenol |
|---|---|
| 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 | C=CCCCCCO)C)C)))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dimethyloct-7-en-2-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H20O |
| Prediction Swissadme | 1.0 |
| Inchi Key | XSNQECSCDATQEL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Logs | -2.326 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.748 |
| Synonyms | dihydro-myrcenol, dihydromyrcenol |
| Esol Class | Soluble |
| Functional Groups | C=CC, CO |
| Compound Name | Dihydromyrcenol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 156.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 156.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -2.2743678000000003 |
| Inchi | InChI=1S/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3 |
| Smiles | CC(CCCC(C)(C)O)C=C |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Pseudotsuga Menziesii (Plant) Rel Props:Reference:https://doi.org/10.1002/1099-1026(200011/12)15:6<434::aid-ffj935>3.0.co;2-0 - 2. Outgoing r'ship
FOUND_INto/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all