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rel-trans-Methoprene Epoxide

CAT: 0572-TRC-M260655-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M260655-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
65277-96-5
Synonyms
2-Butenoic acid, 3-[(2R,3R)-3-(6-methoxy-2,6-dimethylheptyl)-2-oxiranyl]-, 1-methylethyl ester, (2E)-rel- (ACI); (2E)-rel-3-[(2R,3R)-3-(6-Methoxy-2,6-dimethylheptyl)-2-oxiranyl]-2-butenoic Acid 1-Methylethyl Ester; (2E)-rel-3-[(2R,3R)-3-(6-Methoxy-2,6-dimethylheptyl)oxiranyl]-2-butenoic Acid 1-Methylethyl Ester; 2-Butenoic acid, 3-[(2R,3R)-3-(6-methoxy-2,6-dimethylheptyl)oxiranyl]-, 1-methylethyl ester, (2E)-rel- (9CI); rel-1-Methylethyl (2E)-3-[(2R,3R)-3-(6-methoxy-2,6-dimethylheptyl)-2-oxiranyl]-2-butenoate (ACI); Methoprene epoxide; rel-trans-Methoprene epoxide; Methoprene trans-epoxide; trans-Methoprene-epoxide
Hazard Statement
Causes skin irritation; UN number: UN3082; Packing Group: III
Smiles
COC(C)(C)CCCC(C)C[C@H]1O[C@@H]1\C(=C\C(=O)OC(C)C)\C
Molecular Formula
C19 H34 O4
Molecular Weight
326.47
InChI
InChI=1S/C19H34O4/c1-13(2)22-17(20)12-15(4)18-16(23-18)11-14(3)9-8-10-19(5,6)21-7/h12-14,16,18H,8-11H2,1-7H3/b15-12+/t14?,16-,18-/m1/s1
Additionnal Information
IUPAC name: propan-2-yl (E)-3-[(2R,3R)-3-(6-methoxy-2,6-dimethylheptyl)oxiran-2-yl]but-2-enoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

propan-2-yl (E)-3-[(2S,3S)-3-(6-methoxy-2,6-dimethylheptyl)oxiran-2-yl]but-2-enoate
CAS Number65277-96-5
PubChem CID131668418
IUPAC Namepropan-2-yl (E)-3-[(2S,3S)-3-(6-methoxy-2,6-dimethylheptyl)oxiran-2-yl]but-2-enoate
Molecular FormulaC19H34O4
Molecular Weight326.5
XLogP4.4
Topological Polar Surface Area48.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity412
SMILES
CC(C)OC(=O)/C=C(\C)/[C@H]1[C@@H](O1)CC(C)CCCC(C)(C)OC
InChI
InChI=1S/C19H34O4/c1-13(2)22-17(20)12-15(4)18-16(23-18)11-14(3)9-8-10-19(5,6)21-7/h12-14,16,18H,8-11H2,1-7H3/b15-12+/t14?,16-,18-/m0/s1
InChIKey
MJAXFRRFHMMZEL-KZCVOZDMSA-N
Chemical Structure
2D Structure
2D structure of propan-2-yl (E)-3-[(2S,3S)-3-(6-methoxy-2,6-dimethylheptyl)oxiran-2-yl]but-2-enoate
CAS: 65277-96-5
CID: 131668418
Formula: C19H34O4
MW: 326.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.5
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass326.24570956
Monoisotopic Mass326.24570956
Topological Polar Surface Area48.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity412
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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