cis-7,8-Epoxy-2-methyloctadecane

Catalog Number	ACM29804226-1
CAS	29804-22-6
Structure
IUPAC Name	(2R,3S)-2-decyl-3-(5-methylhexyl)oxirane
Synonyms	Disparlure;cis-7,8-Epoxy-2-methyloctadecane;Atralymon;Epoxan;29804-22-6;(-)-Disparlure;(Z)-7,8-Epoxy-2-methyloctadecane;UNII-E5FWS893X3;Oxirane, 2-decyl-3-(5-methylhexyl)-, cis-;Oxirane, 2-decyl-3-(5-methylhexyl)-, (2R,3S)-rel-;E5FWS893X3;2-methyl-7S,8R-Epoxy-octadecane;cis-(7S,8R)-(-)-epoxy-2-methyloctadecane;54910-52-0;(+-)-Disparlure;Disparlure (2S-cis);Caswell No. 424A;(+-)-cis-Disparlure;Disparlure, cis-(-)-;7S-cis-Disparlure;7,8-epoxy-2-methyloctadecane (disparlure);cis-(-)-Disparlure;(+/-)-cis-7,8-Epoxy-2-methyloctadecane;EINECS 249-861-6;EINECS 260-747-5;ENT 34886;EPA Pesticide Chemical Code 114301;cis-2-Decyl-3-(5-methylhexyl)oxirane;(7S,8R)-(-)-Disparlure;AI3-34886;(+/-)-Disparlure;(1)-cis-7,8-Epoxy-2-methyloctadecane;(2R,3S)-2-decyl-3-(5-methylhexyl)oxirane;(.+/-.)-cis-Disparlure;Oxirane, 2-decyl-3-(5-methylhexyl)-, (2R,3S)-;SCHEMBL2855219;DTXSID4035548;LMFA12000283;ZINC43068405;AKOS015913140;(.+/-cis-7,8-Epoxy-2-methyloctadecane;2-Decyl-3-(5-methylhexyl)oxirane, (Z)-;(7s,8r)-cis-7,8-epoxy-2-methyloctadecane;Octadecane, 7,8-epoxy-2-methyl-, cis- (8CI);Q1229127;UNII-1FU18G2315 component HFOFYNMWYRXIBP-MOPGFXCFSA-N
Molecular Weight	282.5g/mol
Molecular Formula	C19H38O
Canonical SMILES	CCCCCCCCCCC1C(O1)CCCCC(C)C
InChI	InChI=1S/C19H38O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h17-19H,4-16H2,1-3H3/t18-,19+/m1/s1
InChI Key	HFOFYNMWYRXIBP-MOPGFXCFSA-N
Complexity	212
Covalently-Bonded Unit Count	1
EC Number	249-861-6
Exact Mass	282.292265831g/mol
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	1
Monoisotopic Mass	282.292265831g/mol
Rotatable Bond Count	14
Target Pest	Lymantria dispar (gypsy moth),
Topological Polar Surface Area	12.5Å²
UNII	E5FWS893X3
X Log P3	8.2

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