Hexenyl tiglate, (3Z)-

PubChem CID: 15461361

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Compound Synonyms	cis-3-Hexenyl tiglate, 67883-79-8, Hexenyl tiglate, (3Z)-, (Z)-3-Hexenyl tiglate, (Z)-3-Hexenyl 2-methylcrotonate, cis-3-Hexenyl-2-methyl-trans-2-butenoate, (3Z)-Hex-3-en-1-yl (2E)-2-methylbut-2-enoate, 9S19N7N2QK, DTXSID7047562, EINECS 267-554-5, cis-Hex-3-ene-1-yl trans-2-methyl-2-butenoate, (E,Z)-2-Methyl-2-butenoic acid 3-hexenyl ester, BRN 2961441, AI3-35965, DTXCID5027562, FEMA NO. 3931, 2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2E)-, 2-BUTENOIC ACID, 2-METHYL-, 3-HEXENYL ESTER, (E,Z)-, 3-HEXENYL TIGLATE, CIS-, 2-Butenoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester, (2E)-, Tiglic Acid cis-3-Hexen-1-yl Ester, [(Z)-hex-3-enyl] (E)-2-methylbut-2-enoate, (Z)-3-HEXENYL (E)-2-METHYL 2-BUTENOATE [FHFI], UNII-9S19N7N2QK, 3Z-Hexenyl Tiglate, MFCD00036528, (3Z)-hexenyl tiglate, cis-3-Hexen-1-yl Tiglate, SCHEMBL406228, CHEMBL3183070, FEMA 3931, CHEBI:195877, Tox21_302573, LMFA07010808, AKOS025295623, NCGC00256838-01, CAS-67883-79-8, (Z)-Hex-3-enyl (E)-2-methylbut-2-enoate, NS00012594, T0934, 2-Methyl-3-hexenyl ester(E,Z)-2-Butenoic acid, cis-3-Hexenyl tiglate, >=97%, stabilized, FG, (Z)-3-HEXENYL (E)-2-METHYL 2-BUTENOATE, 2-Methyl-(3Z)-3-hexenyl ester(2E)-2-Butenoic acid, Q27273008, 2-Methyl-(3Z)-3-hexen-1-yl ester(2E)-2-Butenoic acid, cis-3-Hexenyl tiglate stabilized with 0.1% alpha-tocopherol
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0.0
Heavy Atom Count	13.0
Description	Flavouring ingredient
Isotope Atom Count	0.0
Molecular Complexity	202.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	[(Z)-hex-3-enyl] (E)-2-methylbut-2-enoate
Prediction Hob	1.0
Class	Fatty Acyls
Xlogp	3.1
Superclass	Lipids and lipid-like molecules
Subclass	Fatty acid esters
Molecular Formula	C11H18O2
Prediction Swissadme	1.0
Inchi Key	JNWQKXUWZWKUAY-JQEGGOPCSA-N
Fcsp3	0.5454545454545454
Logs	-2.967
Rotatable Bond Count	6.0
State	Solid
Logd	2.599
Synonyms	(E,Z)-2-Methyl-2-butenoic acid 3-hexenyl ester, (Z)-3-Hexenyl 2-methylcrotonate, 2-Butenoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester, (2E)-, 2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2E)-, 2-Butenoic acid, 2-methyl-, 3-hexenyl ester, (E,Z)-, 2-Methyl-(3Z)-3-hexen-1-yl ester(2e)-2-butenoic acid, 2-Methyl-(3Z)-3-hexenyl ester(2e)-2-butenoic acid, 2-Methyl-3-hexenyl ester(e,Z)-2-butenoic acid, cis-3-Hexenyl tiglate, cis-3-Hexenyl-2-methyl-trans-2-butenoate, cis-Hex-3-ene-1-yl trans-2-methyl-2-butenoate, FEMA 3931, cis-3-Hexenyl tiglic acid, (e,Z)-2-Methyl-2-butenoic acid 3-hexenyl ester, 2-Methyl-(3Z)-3-hexen-1-yl ester(2E)-2-butenoic acid, 2-Methyl-(3Z)-3-hexenyl ester(2E)-2-butenoic acid
Compound Name	Hexenyl tiglate, (3Z)-
Kingdom	Organic compounds
Prediction Hob Swissadme	1.0
Exact Mass	182.131
Formal Charge	0.0
Monoisotopic Mass	182.131
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	182.26
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	2.0
Molecular Framework	Aliphatic acyclic compounds
Esol	-2.5144306000000003
Inchi	InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+
Smiles	CC/C=C\CCOC(=O)/C(=C/C)/C
Nring	0.0
Defined Bond Stereocenter Count	2.0
Taxonomy Direct Parent	Fatty acid esters

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Hexenyl tiglate, (3Z)-

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Phytochemical Properties

Associated Connections 108

Plant Connections 108