Dimethyl 2,2-dimethylhexanedioate
Basic information
- CAS
17219-21-5- Standard SMILES
COC(=O)CCCC(C)(C)C(=O)OC- InChIKey
YVYILWKTNYRFHO-UHFFFAOYSA-N- Molecular formula
- C10H18O4
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.12050905
Names & identifiers
- Preferred name
- Dimethyl 2,2-dimethylhexanedioate
- IUPAC
- dimethyl 2,2-dimethylhexanedioate
- English name
- 2,2-Dimethylhexanedioic acid dimethyl ester
- Molecular formula
- C10H18O4
- Molecular weight
- 202.25
Names & synonyms
DIMETHYL 2,2-DIMETHYLHEXANEDIOATE17219-21-5DTXSID90169211RefChem:338468DTXCID20917022,2-Dimethylhexanedioic acid dimethyl esterdimethyl dimethyladipateSCHEMBL8433296Hexanedioic acid, 2,2-dimethyl-, 1,6-dimethyl ester
Database identifiers
- CAS
17219-21-5- PubChem CID
- 28400
- DTXSID
DTXSID90169211- Nikkaji
- J144.139F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 75 · 75-76 °C
- Density
- 1.008 · 1.008±0.06 g/cm3(Predicted)
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Compound notes
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