2,3-Dimethyl-2-butanol
PubChem CID: 11670
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| Compound Synonyms | 2,3-DIMETHYL-2-BUTANOL, 594-60-5, 2,3-Dimethylbutan-2-ol, Thexyl alcohol, Isopropyldimethylcarbinol, 2-Butanol, 2,3-dimethyl-, ZWE5U7S6W9, NSC-2312, 2,3-dimethyl-butan-2-ol, IKECULIHBUCAKR-UHFFFAOYSA-, DTXSID60208126, (CH3)2CHC(OH)(CH3)2, NSC2312, NSC 2312, EINECS 209-847-2, MFCD00004463, AI3-17876, UNII-ZWE5U7S6W9, SCHEMBL22975, DTXCID80130617, 2,3-Dimethyl-2-butanol, 98%, AKOS009156774, AS-87521, CS-0234265, NS00034173, EN300-140252, G77266 |
|---|---|
| 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 | Fatty alcohols |
| Deep Smiles | CCCO)C)C))C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 55.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethylbutan-2-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H14O |
| Inchi Key | IKECULIHBUCAKR-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2,3-dimethylbutan-2-ol, butan-2-ol,2,3-dimethyl |
| Esol Class | Very soluble |
| Functional Groups | CO |
| Compound Name | 2,3-Dimethyl-2-butanol |
| Exact Mass | 102.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 102.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3 |
| Smiles | CC(C)C(C)(C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids, Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Ananas Comosus (Plant) Rel Props:Reference:ISBN:9780896038776 - 2. Outgoing r'ship
FOUND_INto/from Hierochloe Odorata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730060108