3-Butylidene-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one
Basic information
- CAS
827024-45-3- Standard SMILES
CCCC=C1OC(=O)C2=CCCCC12- InChIKey
OFKAWRNOBJDJFC-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 3-Butylidene-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one
- IUPAC
- 3-butylidene-3a,4,5,6-tetrahydro-2-benzofuran-1-one
Names & synonyms
827024-45-3DTXSID908371653-Butylidene-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one
Database identifiers
- CAS
827024-45-3- PubChem CID
- 71417835
- DTXSID
DTXSID90837165
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 299
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Compound notes
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