Basic information
- CAS
2283-16-1- Standard SMILES
CCCCC(CCCC)(C(=O)O)C(=O)O- InChIKey
WUHHVDQBQZVSJV-UHFFFAOYSA-N- Molecular formula
- C11H20O4
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.13615911
Names & identifiers
- Preferred name
- 2,2-dibutylpropanedioic Acid
- IUPAC
- 2,2-dibutylpropanedioic acid
- English name
- DibutylMalonicAcid
- Molecular formula
- C11H20O4
- Molecular weight
- 216.27
Names & synonyms
2,2-dibutylpropanedioic Acid2283-16-1DTXSID30395118RefChem:243130DTXCID90345977DIBUTYLPROPANEDIOIC ACID2,2-dibutylmalonic acidDibutylMalonicAciddibutylmalonic acidPropanedioic acid, dibutyl-SCHEMBL476932WUHHVDQBQZVSJV-UHFFFAOYSA-N
Show more names
Nonane-5,5-dicarboxylic acidPropanedioic acid, 2,2-dibutyl-
SBB057489AKOS024344656AS-0271ST50564840
Database identifiers
- CAS
2283-16-1- PubChem CID
- 3691946
- DTXSID
DTXSID30395118- Nikkaji
- J127.709J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 163 °C · 163 °C (decomp)(Solv: benzene (71-43-2))
- Boiling point
- 88 °C · 88 °C(Press: 0.5 Torr)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- pka
- 2.05 · 2.05±0.50(Predicted)
Chemistry & industry
Suppliers3 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…