2,2,4-Trimethylpentane-1,3-diyl dipropionate
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Basic information
- CAS
32815-92-2- Standard SMILES
CCC(=O)OCC(C)(C)C(OC(=O)CC)C(C)C- InChIKey
BBXVZOFESFUKEH-UHFFFAOYSA-N- Molecular formula
- C14H26O4
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.18310931
Overview
See also: 1,3-Pentanediol, 2,2,4-trimethyl-, dipropanoate (annotation moved to).
Names & identifiers
- Preferred name
- 2,2,4-Trimethylpentane-1,3-diyl dipropionate
- IUPAC
- (2,2,4-trimethyl-3-propanoyloxypentyl) propanoate
- English name
- 2,2,4-trimethylpentane-1,3-diyl dipropionate
- Molecular formula
- C14H26O4
- Molecular weight
- 258.35
Names & synonyms
32815-92-22,2,4-Trimethylpentane-1,3-diyl dipropionateEINECS 251-236-82,2,4-trimethylpentane-1,3-diyl dipropanoateSCHEMBL3308842DTXSID40954472BBXVZOFESFUKEH-UHFFFAOYSA-NNS000554341,3-Pentanediol, 2,2,4-trimethyl-, 1,3-dipropanoateBispropionic acid 2,2,4-trimethylpentane-1,3-diyl ester
Database identifiers
- CAS
32815-92-2- PubChem CID
- 122971
- DTXSID
DTXSID40954472- EC Number
- 251-236-8
- Nikkaji
- J319.450G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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