Basic information
- CAS
4339-27-9- Standard SMILES
COC(=O)CCC(CC(=O)OC)C(=O)OC- InChIKey
DVHJCQNSPXZHEC-UHFFFAOYSA-N- Molecular formula
- C10H16O6
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.09468823
Names & identifiers
- Preferred name
- Trimethyl butane-1,2,4-tricarboxylate
- IUPAC
- trimethyl butane-1,2,4-tricarboxylate
- English name
- Dimethyl 3-(methoxycarbonyl)hexanediate
- Molecular formula
- C10H16O6
- Molecular weight
- 232.23
Names & synonyms
Trimethyl butane-1,2,4-tricarboxylate4339-27-9DTXSID203376281,2,4-Butanetricarboxylic acid, trimethyl esterRefChem:386340DTXCID50288715DVHJCQNSPXZHEC-UHFFFAOYSA-NDimethyl 3-(methoxycarbonyl)hexanediateMFCD223809153-methylhexane-2,3,5-tricarboxylic acidSCHEMBL5262201,2,4-tricarbomethoxy butane
Show more names
trimethyl 1,2,4-butanetri-carboxylateTrimethyl 1,2,4-butanetricarboxylate #DA-05869G675621,2,4-Butanetricarboxylic acid, 1,2,4-trimethyl ester
Database identifiers
- CAS
4339-27-9- PubChem CID
- 543737
- DTXSID
DTXSID20337628
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 281.4 · 281.4±20.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers6 total
泰州葛林美克医药科技有限公司15366892466 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
泰州葛林美克医药科技有限公司0514-86654616 15366892466 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
3 records
Compound notes
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