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(1S,4S,6R)-1-Methyl-4-((Z)-6-methylhepta-2,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane

Catalog Number ACM111536379
CAS 111536-37-9
Structure (1S,4S,6R)-1-Methyl-4-((Z)-6-methylhepta-2,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
IUPAC Name (1S,4S,6R)-1-methyl-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]-7-oxabicyclo[4.1.0]heptane
Synonyms (1S,1'Z,2R,4S)-(?)-Epoxybisabolene;(1S,4S,6R)-1-Methyl-4-((Z)-6-methylhepta-2,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane;111536-37-9
Molecular Weight 220.35g/mol
Molecular Formula C15H24O
Canonical SMILES CC(=CCC=C(C)C1CCC2(C(C1)O2)C)C
InChI InChI=1S/C15H24O/c1-11(2)6-5-7-12(3)13-8-9-15(4)14(10-13)16-15/h6-7,13-14H,5,8-10H2,1-4H3/b12-7-/t13-,14+,15-/m0/s1
InChI Key BOWJPMUUGHPAAF-OIQKGARISA-N
Complexity 322
Covalently-Bonded Unit Count 1
Exact Mass 220.182715385g/mol
Heavy Atom Count 16
Hydrogen Bond Acceptor Count 1
Monoisotopic Mass 220.182715385g/mol
Rotatable Bond Count 3
Topological Polar Surface Area 12.5Ų
X Log P3 4.3
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