Ethyl chrysanthemate

PubChem CID: 7334

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Compound Synonyms	Ethyl chrysanthemate, 97-41-6, Ethyl chrysanthemumate, chrysanthemic acid, ethyl ester, Ethylchrysanthemate, Ethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate, Chrysanthemic acid ethyl ester, ethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate, CYCLOPROPANECARBOXYLIC ACID, 2,2-DIMETHYL-3-(2-METHYL-1-PROPENYL)-, ETHYL ESTER, CCRIS 2498, EINECS 202-579-7, Ethyl 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylate, ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, NSC 10819, BRN 2045740, AI3-31012, MFCD00001304, 2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid ethyl ester, Chrysanthemummonocarboxylic acid, ethyl ester, DTXSID2052651, Ethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate, 4-09-00-00170 (Beilstein Handbook Reference), Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ethyl ester, ethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, ethyl ester, ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, Spectrum2_001791, Spectrum3_001169, Spectrum4_001797, Spectrum5_000473, Chrysanthemum monocarboxylic acid ethyl ester, Ethyl chrysanthemate, 95%, chrysanthemic acidethyl ester, BSPBio_002757, KBioGR_002376, SPECTRUM310019, SCHEMBL294267, Chrysanthemummonocarboxylic acid, ethyl ester (6CI), SPBio_001741, CHEMBL1596099, Ethyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate #, KBio3_002257, CHEBI:228794, DTXCID201079157, ALBB-021307, HY-N7100, NSC10819, AC2285, BBL027333, CCG-38439, NSC-10819, s5349, STL372805, AKOS000120244, AKOS016890706, CS-W010588, FC66916, SDCCGMLS-0066640.P001, ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, Ethyl Chrysanthemate (cis/trans mixture), NCGC00095865-01, NCGC00095865-02, 15543-65-4, SY033015, Chrysanthemum-monocarboxlic acid ethyl ester, Chrysanthemylmonocarboxylic Acid Ethyl Ester, D2112, NS00041000, EN300-20374, SR-05000002438, SR-05000002438-1, Z104477916, Cyclopropanecarboxylic acid,2-dimethyl-3-(2-methylpropenyl)-, ethyl ester, ethyl (1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate, 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane Carboxylic Acid Ethyl Ester, 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropane-1-carboxylic Acid Ethyl Ester, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ethyl ester (8CI), Cyclopropanecarboxylic acid,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester, 202-579-7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	14.0
Isotope Atom Count	0.0
Molecular Complexity	259.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P02545, Q9Y6L6, Q9NPD5
Iupac Name	ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Prediction Hob	1.0
Target Id	NPT483
Xlogp	4.1
Molecular Formula	C12H20O2
Prediction Swissadme	1.0
Inchi Key	VIMXTGUGWLAOFZ-UHFFFAOYSA-N
Fcsp3	0.75
Logs	-4.568
Rotatable Bond Count	4.0
Logd	3.972
Compound Name	Ethyl chrysanthemate
Prediction Hob Swissadme	1.0
Exact Mass	196.146
Formal Charge	0.0
Monoisotopic Mass	196.146
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	196.29
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Esol	-3.3948979999999995
Inchi	InChI=1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3
Smiles	CCOC(=O)C1C(C1(C)C)C=C(C)C
Nring	1.0
Defined Bond Stereocenter Count	0.0

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100. Outgoing r'ship FOUND_IN to/from Viguiera Annua (Plant) Rel Props:Reference:

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Ethyl chrysanthemate

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Phytochemical Properties

Associated Connections 100

Plant Connections 100