6-Methylheptyl 8-methylnonyl phthalate
Basic information
- CAS
119-05-1- Standard SMILES
CC(C)CCCCCCCOC(=O)c1ccc(C(=O)OCCCCCC(C)C)cc1- InChIKey
LWMZLERUOSRYNT-UHFFFAOYSA-N- Molecular formula
- C26H42O4
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.30830982
Names & identifiers
- Preferred name
- 6-Methylheptyl 8-methylnonyl phthalate
- IUPAC
- 4-O-(6-methylheptyl) 1-O-(8-methylnonyl) benzene-1,4-dicarboxylate
Names & synonyms
119-05-16-methylheptyl 8-methylnonyl benzene-1,4-dicarboxylate6-Methylheptyl 8-methylnonyl phthalate4-O-(6-methylheptyl) 1-O-(8-methylnonyl) benzene-1,4-dicarboxylateDTXSID80922837LWMZLERUOSRYNT-UHFFFAOYSA-NEINECS 204-293-8NS00123330
Database identifiers
- CAS
119-05-1- PubChem CID
- 67057
- DTXSID
DTXSID80922837- EC Number
- 204-293-8
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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