Pivalic acid
PubChem CID: 6417
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Pivalic acid, 75-98-9, Trimethylacetic acid, 2,2-DIMETHYLPROPANOIC ACID, 2,2-Dimethylpropionic acid, Neopentanoic acid, Propanoic acid, 2,2-dimethyl-, tert-Pentanoic acid, Versatic 5, Kyselina pivalova, Acetic acid, trimethyl-, acide pivalique, acido pivalico, Dimethylpropionic acid, Neovaleric acid, 2,2-dimethyl-propanoic acid, 2,2-dimethyl-propionic acid, alpha,alpha-Dimethylpropionic acid, tert-C4H9COOH, Pivalinsaeure, Pivalinsaure, Kyselina 2,2-dimethylpropionova, Propionic acid, 2,2-dimethyl-, HSDB 5211, EINECS 200-922-5, NSC 65449, acide 2,2-dimethylpropanoique, UNII-813RE8BX41, BRN 0969480, trimethyl-acetic acid, DTXSID8026432, CHEBI:45133, AI3-04165, NSC-65449, PIVALIC ACID [MI], 2,2,2-trimethylacetic acid, DTXCID106432, pivalicacid, Pivalic acid (ACD/Name 4.0), EC 200-922-5, 813RE8BX41, 4-02-00-00908 (Beilstein Handbook Reference), .alpha.,.alpha.-Dimethylpropionic acid, 2,2-DIMETHYLPROPANOIC ACID [HSDB], Kyselina pivalova [Czech], Kyselina 2,2-dimethylpropionova [Czech], pivaloic acid, Tert-pentanoate, dimethylpropionate, PivOH, tertPentanoic acid, PIV, MFCD00004194, trimethyl acetic acid, a,a-Dimethylpropionate, Pivalic acid, 99%, Acetic acid, trimethyl, VERSATIC 5 ACID, 2,2dimethylpropionic acid, a,a-Dimethylpropionic acid, tert-Butyl carboxylic acid, SCHEMBL3613, 2,2,-dimethylpropionic acid, Propanoic acid, 2,2dimethyl, Propionic acid, 2,2dimethyl, Kyselina 2,2dimethylpropionova, CHEMBL322719, alpha,alphaDimethylpropionic acid, WLN: QVX1&1&1, CS-D1464, NSC65449, STR05697, Tox21_200425, LMFA01020073, STL264139, TRIMETHYLMETHANECARBOXYLIC ACID, AKOS000119013, CAS-75-98-9, NCGC00248606-01, NCGC00257979-01, PROPANOIC ACID, 2,2-DI-METHYL-, BP-30032, ALPHA, ALPHA-DIMETHYL-PROPIONIC ACID, NS00006690, P0461, EN300-21285, D78007, Q421509, F2191-0097, 200-922-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Branched fatty acids |
| Deep Smiles | OC=O)CC)C)C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Carboxylic acids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 78.6 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2-dimethylpropanoic acid |
| Class | Carboxylic acids and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 1.5 |
| Superclass | Organic acids and derivatives |
| Subclass | Carboxylic acids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H10O2 |
| Inchi Key | IUGYQRQAERSCNH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 2,2-Dimethylpropionic acid, Acide 2,2-dimethylpropanoique, Acide pivalique, Acido pivalico, alpha,alpha-Dimethylpropionic acid, Dimethylpropionic acid, Neopentanoic acid, Pivalinsaeure, Tert-pentanoic acid, Trimethylacetic acid, 2,2-Dimethylpropionate, a,a-Dimethylpropionate, a,a-Dimethylpropionic acid, alpha,alpha-Dimethylpropionate, Α,α-dimethylpropionate, Α,α-dimethylpropionic acid, Dimethylpropionate, Neopentanoate, Tert-pentanoate, Trimethylacetate, Pivalate, 2,2-Dimethyl-propanoic acid, 2,2-Dimethyl-propionic acid, 2,2-Dimethylpropanoic acid, Kyselina 2,2-dimethylpropionova, Kyselina pivalova, Neovaleric acid, Pivalic acid (acd/name 4.0), Pivalinsaure, Tert-C4H9COOH, Trimethyl-acetic acid, Versatic 5, Pivalic acid, sodium salt, pivalic acid |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O |
| Compound Name | Pivalic acid |
| Kingdom | Organic compounds |
| Exact Mass | 102.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 102.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 102.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7) |
| Smiles | CC(C)(C)C(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Carboxylic acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Spondias Mombin (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698933