Diethyl 2-heptylidenepropanedioate
Basic information
- CAS
51615-31-7- Standard SMILES
CCCCCCC=C(C(=O)OCC)C(=O)OCC- InChIKey
PHTWTKAHOJRDME-UHFFFAOYSA-N- Molecular formula
- C14H24O4
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.16745924
Names & identifiers
- Preferred name
- Diethyl 2-heptylidenepropanedioate
- IUPAC
- diethyl 2-heptylidenepropanedioate
Names & synonyms
diethyl 2-heptylidenepropanedioate51615-31-7DTXSID90325032RefChem:337830DTXCID20276149diethyl heptylidenepropanedioateNSC408245SCHEMBL11439397PHTWTKAHOJRDME-UHFFFAOYSA-NNSC-408245DS-000837
Database identifiers
- CAS
51615-31-7- PubChem CID
- 348771
- DTXSID
DTXSID90325032
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
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Related reactions
2 records
Compound notes
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