2-(Methoxycarbonyl)-3-methyl-2-(propan-2-yl)butanoic acid
Basic information
- CAS
7498-49-9- Standard SMILES
COC(=O)C(C(=O)O)(C(C)C)C(C)C- InChIKey
GDTHFOBPNWZQMO-UHFFFAOYSA-N- Molecular formula
- C10H18O4
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.12050905
Names & identifiers
- Preferred name
- 2-(Methoxycarbonyl)-3-methyl-2-(propan-2-yl)butanoic acid
- IUPAC
- 2-methoxycarbonyl-3-methyl-2-propan-2-ylbutanoic acid
Names & synonyms
7498-49-9NSC407546SCHEMBL17124714DTXSID803246902-(Methoxycarbonyl)-3-methyl-2-(propan-2-yl)butanoic acidNSC-407546
Database identifiers
- CAS
7498-49-9- PubChem CID
- 348287
- DTXSID
DTXSID80324690
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…