2-Methylprop-2-enoic acid--6-methylheptyl prop-2-enoate (1/1)
Basic information
- CAS
66251-42-1- Standard SMILES
C=C(C)C(=O)O.C=CC(=O)OCCCCCC(C)C- InChIKey
VVUXLKACYYLEIW-UHFFFAOYSA-N- Molecular formula
- C15H26O4
- Average molar mass
- 270.36 g/mol
- Monoisotopic mass
- 270.18310931
Names & identifiers
- Preferred name
- 2-Methylprop-2-enoic acid--6-methylheptyl prop-2-enoate (1/1)
- IUPAC
- 6-methylheptyl prop-2-enoate;2-methylprop-2-enoic acid
Names & synonyms
SCHEMBL6662532DTXSID70984767VVUXLKACYYLEIW-UHFFFAOYSA-N2-Methylprop-2-enoic acid--6-methylheptyl prop-2-enoate (1/1)
Database identifiers
- CAS
66251-42-1- PubChem CID
- 6455293
- DTXSID
DTXSID70984767
Properties
Computed structural properties
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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