(3Z,7Z)-3,7,11-trimethyl-13-oxabicyclo[8.3.0]trideca-3,7,11,14-tetraene

1. Names and Identifiers

1.1 Name: (3Z,7Z)-3,7,11-trimethyl-13-oxabicyclo[8.3.0]trideca-3,7,11,14-tetraene

1.2 Synonyms: (3Z,7Z)-3,7,11-trimethyl-13-oxabicyclo[8.3.0]trideca-3,7,11,14-tetraene; (5E,9E)-3,6,10-Trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; (5E,9E)-4,7,8,11-Tetrahydro-3,6,10-trimethylcyclodeca[b]furan; (5Z)-3,6,10-Trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan; 1(10)E,4E-Furanodien; 3,6,10-Trimethyl-4,7,8,11-tetrahydro-cyclodeca[b]furan; Cyclodeca(B)furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (E,E)-; Cyclodeca[b]furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (5E,9E)-; Cyclodeca[b]furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (5Z)-; Cyclodeca[b]furan, 4,7,8,11-tetrahydro-3,6,10-trimethyl-, (E,E)-; Cyclodeca[b]furan,4,7,8,11-tetrahydro-3,6,10-trimethyl-, (5E,9E)-; Furodien; Germacra-1(10),4,7,11-tetraene, 8,12-epoxy-, (Z,E)-; Isofuradiene; Isofuranodiene;

1.6 Inchi: InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+

2. Properties

3. Safety and Handling

3.1 Safety: A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.

3.2 Toxicity

orl-mus TDLo:12.5 mg/kg

BIPBU* Biological & pharmaceutical bulletin. 25 (2002),627.

4. MSDS

no data available

no data available

5. Computed Properties

Molecular Weight：216.31900g/mol
Molecular Formula：C₁₅H₂₀O
Compound Is Canonicalized：True
Exact Mass：3.7
XLogP3-AA：216.151415257
Monoisotopic Mass：216.151415257
Complexity：301
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：13.1
Heavy Atom Count：：16
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：2
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceBwIAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAACBgAAAGgAAAAAADASgmAIiBIAABECIAqhSgAACCAAkIAAAiAEECMgMJjKENRqCGSCkwBEIqQeIyGCOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==