10-Undecenal
PubChem CID: 8187
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| Compound Synonyms | 10-Undecenal, 112-45-8, Undec-10-enal, Undecylenic aldehyde, Hendecenal, 10-UNDECEN-1-AL, Undecylenaldehyde, 1-Undecen-10-al, 10-Undecylenealdehyde, 10-Hendecenal, C-11 aldehyde, undecylenic, Aldehyde C-11, undecylenic, 10-Undecenyl aldehyde, 10-Undecylenic aldehyde, undecylenal, FEMA No. 3095, Undecylene aldehyde, NSC 44900, DU1OTA08RY, Aldehyde C-11 undecylenic, EINECS 203-973-1, BRN 1746480, Undec-10-en-al, n-Undecylenic aldehyde, AI3-03940, undec-10-en-1-al, MFCD00007032, NSC-44900, 10-UNDECENAL [FCC], 10-UNDECENAL [FHFI], DTXSID3037757, EC 203-973-1, 4-01-00-03520 (Beilstein Handbook Reference), 10-UNDECEN-1-AL (ALDEHYDE C-11 UNDECYLENIC), UNII-DU1OTA08RY, n-UNDECYLENIC ALDEHYDE (10-1), UNDECYLENAL [INCI], 10-Undecen-1-yl aldehyde, Undecylenic aldehyde, 95%, WLN: VH9U1, SCHEMBL107549, CHEMBL3185269, DTXCID1017757, FEMA 3095, CHEBI:125536, NSC44900, STR02813, Tox21_302293, LMFA06000067, 10-Undecenyl Aldehyde, 10-Undecenal, AKOS015902232, CS-W020162, HY-W018829, NCGC00164054-01, NCGC00255582-01, 10-Undecenal, >=95%, FG, stabilized, CAS-112-45-8, SY051707, DB-041093, 10-Undecenal (stabilized with a-tocopherol), NS00013321, U0011, D92749, EN300-1720825, BRD-K33235400-001-01-2, Q20033560, 203-973-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty aldehydes |
| Deep Smiles | C=CCCCCCCCCC=O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Description | Found in coriander leaf (Coriandrum sativum). Perfumery and flavouring ingredient |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | undec-10-enal |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 3.8 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H20O |
| Inchi Key | OFHHDSQXFXLTKC-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| State | Liquid |
| Synonyms | 1-Undecen-10-al, 10-Hendecenal, 10-Undecen-1-al, 10-Undecenyl aldehyde, 10-Undecylenealdehyde, 10-Undecylenic aldehyde, Aldehyde C-11, undecylenic, C-11 Aldehyde, undecylenic, FEMA 3095, N-undecylenic aldehyde, n-UNDECYLENIC ALDEHYDE (10-1), Undec-10-en-1-al, undec-10-en-al, Undec-10-enal, Undecylenaldehyde, Undecylene aldehyde, Undecylenic aldehyde, N-Undecylenic aldehyde, N-UNDECYLENIC aldehyde (10-1), Undec-10-en-al, 10-undecenal |
| Esol Class | Soluble |
| Functional Groups | C=CC, CC=O |
| Compound Name | 10-Undecenal |
| Kingdom | Organic compounds |
| Exact Mass | 168.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.151 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 168.28 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2 |
| Smiles | C=CCCCCCCCCC=O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Medium-chain aldehydes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Machilus Gamblei (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1995.9698500 - 2. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698676