Basic information
- CAS
63834-25-3- Standard SMILES
C=CCOC(=O)CCC(C)(CCC(=O)OCC=C)C(C)=O- InChIKey
CXWHJCJCJUVJDG-UHFFFAOYSA-N- Molecular formula
- C16H24O5
- Average molar mass
- 296.36 g/mol
- Monoisotopic mass
- 296.16237386
Names & identifiers
- Preferred name
- Heptanedioic acid, 4-acetyl-4-methyl-, diallyl ester
- IUPAC
- bis(prop-2-enyl) 4-acetyl-4-methylheptanedioate
- English name
- 4-Acetyl-4-methylheptanedioic acid diallyl ester
- Molecular formula
- C16H24O5
- Molecular weight
- 296.36
Names & synonyms
4-Acetyl-4-methylheptanedioic acid diallyl ester63834-25-3HEPTANEDIOIC ACID, 4-ACETYL-4-METHYL-, DIALLYL ESTERDTXSID00213279NSC 83180RefChem:347239DTXCID50135770NCIOpen2_004604NSC83180NSC-83180Diallyl 4-acetyl-4-methylheptanedioateHeptanedioic acid, di-2-propenyl ester
Show more names
Heptanedioic acid, 4-acetyl-4-methyl-, 1,7-di-2-propen-1-yl ester
DB-220305Di(prop-2-en-1-yl) 4-acetyl-4-methylheptanedioate
Database identifiers
- CAS
63834-25-3- PubChem CID
- 44783
- DTXSID
DTXSID00213279- Nikkaji
- J73.617A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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