Methyl 10-undecenoate
PubChem CID: 8138
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| Compound Synonyms | Methyl undec-10-enoate, 111-81-9, METHYL 10-UNDECENOATE, Methyl undecenate, Methyl undecenoate, 10-Undecenoic acid, methyl ester, 10-Undecenoic acid methyl ester, Methyl 10-undecenate, Undecylenic acid methyl ester, Undecenoic acid, methyl ester, Undecylenic acid, methyl ester, methyl 10-undecylenate, UNII-RWN4DY6S6T, RWN4DY6S6T, DTXSID5046566, CHEBI:87493, NSC 1273, NSC-1273, Methyl undec-10-enylate, EINECS 203-910-8, MFCD00016689, MASKOD MNS 01-10, AI3-00647, DTXCID3026566, FEMA NO. 4253, undec-10-enoic acid methyl ester, EC 203-910-8, 10-Hendecenoic acid, methyl ester, METHYL UNDECENOATE [WHO-DD], Methyl ester of 10-Undecenoic acid, METHYL 10-UNDECENOATE [FHFI], 10-HENDECENOIC ACID METHYL ESTER, NCGC00166231-01, Methyl 10-undecenoate, 96%, Methyl 10-?Undecenoate(10-Undecenoic Acid Methyl Ester), methyl 10-undecanoate, Methyl-10-undecenoate, Methylundec-10-enoate, Methyl 10-undecanoic acid, Methyl 10-undecenoic acid, 10-Undecylenate methyl ester, SCHEMBL196188, CHEMBL1591973, 10-undecylenic acid methyl ester, NSC1273, METHYL UNDECYLENATE [INCI], Tox21_112360, BBL027820, LMFA07010937, STK801278, AKOS015904011, FM71124, HY-W068214, NCGC00166231-02, CAS-111-81-9, VS-08597, UNDECYLENIC ACID METHYL ESTER [MI], CS-0068709, NS00008917, U0036, E75861, Q27159670, Methyl 10-Undecenoate(10-Undecenoic Acid Methyl Ester) |
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| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Description | Flavouring ingredient. [CCD] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545, O94782 |
| Iupac Name | methyl undec-10-enoate |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Target Id | NPT483 |
| Xlogp | 4.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acid esters |
| Molecular Formula | C12H22O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KISVAASFGZJBCY-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | -4.285 |
| Rotatable Bond Count | 10.0 |
| State | Liquid |
| Logd | 3.559 |
| Synonyms | 10-Hendecenoic acid, methyl ester, 10-Undecenoic acid methyl ester, 10-Undecenoic acid, methyl ester, Methyl 10-undecenate, Methyl 10-undecenoate, Methyl ester OF 10-undecenoic acid, Methyl undec-10-enoate, Methyl undecenate, Methyl undecenoate, Undecenoic acid, methyl ester, Undecylenic acid methyl ester, Undecylenic acid, methyl ester, 10-Undecylenic acid methyl ester, Methyl 10-undecanoate, 10-Undecylenate methyl ester, Methyl 10-undecanoic acid, Methyl 10-undecenoic acid |
| Substituent Name | Fatty acid methyl ester, Methyl ester, Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Compound Name | Methyl 10-undecenoate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -3.490197199999999 |
| Inchi | InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3 |
| Smiles | COC(=O)CCCCCCCCC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Fatty acid methyl esters |
- 1. Outgoing r'ship
FOUND_INto/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all