Hex-3-en-1-yl 2-methylbut-2-enoate
Basic information
- Standard SMILES
CC=C(C)C(=O)OCCC=CCC- InChIKey
JNWQKXUWZWKUAY-UHFFFAOYSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- Hex-3-en-1-yl 2-methylbut-2-enoate
- IUPAC
- hex-3-enyl 2-methylbut-2-enoate
Names & synonyms
DTXSID2047563Hex-3-en-1-yl 2-methylbut-2-enoateRefChem:347346DTXCID0027563NOCAS_47563hex-3-enyl 2-methylbut-2-enoate(E)-(Z)-Hex-3-en-1-yl 2-methylbut-2-enoate(z)-3-hexen-1-yl angelateMFCD00036528SCHEMBL406229
Database identifiers
- PubChem CID
- 49993
- DTXSID
DTXSID2047563
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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