(S)-2-methylbutanal
PubChem CID: 6971249
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| Compound Synonyms | (S)-2-methylbutanal, (2S)-2-methylbutanal, 1730-97-8, (S)-2-methylbutyraldehyde, S-2-METHYLBUTANAL, (2S)-2-methylbutyraldehyde, (s)-(+)-2-methylbutanal, (S)-2-methylbutyric aldehyde, (2S)-2-methylbutyric aldehyde, (S)-alpha-methylbutyric aldehyde, CHEBI:88414, DTXSID801346324, Q27160271 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 6.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 41.2 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-methylbutanal |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Xlogp | 1.1 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Molecular Formula | C5H10O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BYGQBDHUGHBGMD-YFKPBYRVSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 2.0 |
| Synonyms | (2S)-2-Methylbutyraldehyde, (2S)-2-Methylbutyric aldehyde, (S)-2-Methylbutyraldehyde, (S)-2-Methylbutyric aldehyde, (S)-alpha-Methylbutyric aldehyde, (S)-a-Methylbutyric aldehyde, (S)-Α-methylbutyric aldehyde, (+)(S)-2-Methylbutanal, (+)-2-Methylbutanal, (+)-2-Methylbutyraldehyde, (2S)-2-Methylbutanal, (RS)-2-Methylbutanal, (S)-(+)-2-Methylbutanal, (±)-2-methylbutanal, (±)-2-methylbutyraldehyde, 2-Ethylpropanal, 2-Formylbutane, 2-Methylbutanal, 2-Methylbutyraldehyde, 2-Methylbutyric aldehyde, alpha-Methyl-N-butanal, alpha-Methylbutanal, alpha-Methylbutyraldehyde, alpha-Methylbutyric aldehyde, Α-methyl-N-butanal, Α-methylbutanal, Α-methylbutyraldehyde, Α-methylbutyric aldehyde, (S)-2-Methylbutanal |
| Compound Name | (S)-2-methylbutanal |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 86.0732 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 86.0732 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 86.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -1.0232307999999999 |
| Inchi | InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3/t5-/m0/s1 |
| Smiles | CC[C@H](C)C=O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Short-chain aldehydes |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Elettaria Cardamomum (Plant) Rel Props:Source_db:cmaup_ingredients