Basic information
- Standard SMILES
CC#CC#C/C=C1\C=C[C@]2(OC=C[C@H]2OC(C)=O)O1- InChIKey
XQVRVLVORPSYNU-YACGDJQHSA-N- Molecular formula
- C15H12O4
- Average molar mass
- 256.25 g/mol
- Monoisotopic mass
- 256.07355886
Overview
[(2E,5S,9R)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] acetate has been reported in Plagius flosculosus, Santolina rosmarinifolia, and Santolina canescens with data available.
Names & identifiers
- Preferred name
- [(2E,5S,9R)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] acetate
- IUPAC
- [(2E,5S,9R)-2-hexa-2,4-diynylidene-1,6-dioxaspiro[4.4]nona-3,7-dien-9-yl] acetate
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 612
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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