Hexanedioic acid, mixed esters with 1,4-cyclohexanedimethanol, 1,6-hexanediol and neopentyl glycol
Basic information
- CAS
93925-08-7- Standard SMILES
CC(C)(CO)CO.O=C(O)CCCCC(=O)O.OCC1CCC(CO)CC1.OCCCCCCO- InChIKey
BMGGDWASCAGFNF-UHFFFAOYSA-N- Molecular formula
- C25H52O10
- Average molar mass
- 512.7 g/mol
- Monoisotopic mass
- 512.35604785
Names & identifiers
- Preferred name
- Hexanedioic acid, mixed esters with 1,4-cyclohexanedimethanol, 1,6-hexanediol and neopentyl glycol
- IUPAC
- 2,2-dimethylpropane-1,3-diol;hexanedioic acid;hexane-1,6-diol;[4-(hydroxymethyl)cyclohexyl]methanol
Names & synonyms
EINECS 300-307-293925-08-7RefChem:146149300-307-2
Database identifiers
- CAS
93925-08-7- PubChem CID
- 44153169
- EC Number
- 300-307-2
Properties
Computed structural properties
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 263
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Compound notes
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