9-Decenyl acetate
PubChem CID: 39801
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| Compound Synonyms | 9-Decenyl acetate, 50816-18-7, Acetic acid 9-decen-1-yl ester, 9-Decen-1-ol, acetate, 9-Decen-1-yl acetate, Decenyl acetate, 9-Decen-1-ol, 1-acetate, dec-9-enyl acetate, 10-Acetoxy-1-decene, Acetic acid 9-decenyl ester, dec-9-en-1-yl acetate, EINECS 256-784-1, BRN 1765355, 9-DECEN-1-OL ACETATE, DTXSID4047125, UNII-I999R8F793, AI3-34397, ACETIC ACID, 9-DECENYL ESTER, I999R8F793, 1-ACETOXY-9-DECENE, DTXCID2027125, 4-02-00-00195 (Beilstein Handbook Reference), ACETICACID9-DECEN-1-YLESTER, rose petal acetate, MFCD00036512, SCHEMBL585734, CHEMBL3185404, Tox21_302671, AKOS024264142, NCGC00256826-01, CAS-50816-18-7, A1093, CS-0453149, NS00012199, D88376, Q27280605, 256-784-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Wax monoesters |
| Deep Smiles | C=CCCCCCCCCOC=O)C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohol esters |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 152.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dec-9-enyl acetate |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H22O2 |
| Inchi Key | PIQXMYAEJSMANF-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 9-decen-1-yl acetate, 9-decenyl acetate |
| Esol Class | Soluble |
| Functional Groups | C=CC, COC(C)=O |
| Compound Name | 9-Decenyl acetate |
| Exact Mass | 198.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3H,1,4-11H2,2H3 |
| Smiles | CC(=O)OCCCCCCCCC=C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2009.10643781