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Home Carboxys Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,1-ethynyl-2-methyl-2-pentenyl ester

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,1-ethynyl-2-methyl-2-pentenyl ester

CAS No.:
54406-48-3
Catalog Number:
AG00I9Q5
Molecular Formula:
C18H26O2
Molecular Weight:
274.3978
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Product Description
Catalog Number:
AG00I9Q5
Chemical Name:
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,1-ethynyl-2-methyl-2-pentenyl ester
CAS Number:
54406-48-3
Molecular Formula:
C18H26O2
Molecular Weight:
274.3978
MDL Number:
MFCD01745518
IUPAC Name:
[(E)-4-methylhept-4-en-1-yn-3-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
InChI:
InChI=1S/C18H26O2/c1-8-10-13(5)15(9-2)20-17(19)16-14(11-12(3)4)18(16,6)7/h2,10-11,14-16H,8H2,1,3-7H3/b13-10+
InChI Key:
YUGWDVYLFSETPE-JLHYYAGUSA-N
SMILES:
CC/C=C(/C(OC(=O)C1C(C1(C)C)C=C(C)C)C#C)\C
EC Number:
259-154-4
Properties
Complexity:
481  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
274.193g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.404g/mol
Monoisotopic Mass:
274.193g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Literature
Title Journal
The photochemical behaviour of five household pyrethroid insecticides and a synergist as studied by photo-solid-phase microextraction. Analytical and bioanalytical chemistry 20070701
Evaluation of in vitro methods for detecting the effects of various chemicals on the human progesterone receptor, with a focus on pyrethroid insecticides. Toxicology letters 20010103
Lack of significant estrogenic or antiestrogenic activity of pyrethroid insecticides in three in vitro assays based on classic estrogen receptor alpha-mediated mechanisms. Toxicological sciences : an official journal of the Society of Toxicology 20000901
Properties