Propan-1,3-dioic acid, di(3-methylbutyl) ester
Basic information
- CAS
64617-96-5- Standard SMILES
CC(C)CCOC(=O)CC(=O)OCCC(C)C- InChIKey
MZXKSEBRMIOIIE-UHFFFAOYSA-N- Molecular formula
- C13H24O4
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.16745924
Names & identifiers
- Preferred name
- Propan-1,3-dioic acid, di(3-methylbutyl) ester
- IUPAC
- bis(3-methylbutyl) propanedioate
- English name
- Propan-1,3-dioic acid, di[3-methylbutyl] ester
- Molecular formula
- C13H24O4
- Molecular weight
- 244.33
Names & synonyms
64617-96-5Propan-1,3-dioic acid, di[3-methylbutyl] esterDTXSID30336980Propan-1,3-dioic acid, di(3-methylbutyl) esterRefChem:1096662DTXCID00288068bis(3-methylbutyl) propanedioateDiisopentyl malonate #SCHEMBL2267201MZXKSEBRMIOIIE-UHFFFAOYSA-NMalonic acid, di(3-methylbutyl) esterDB-374563
Show more names
Propanedioic acid, 1,3-bis(3-methylbutyl) ester
1,3-BIS(3-METHYLBUTYL) PROPANEDIOATE
Database identifiers
- CAS
64617-96-5- PubChem CID
- 537690
- DTXSID
DTXSID30336980
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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