| IUPAC Name | CCC1(COC(OC1)C(C)(C)COC(=O)C=C)COC(=O)C=C |
|---|---|
| InChIKey | YNTQTLGBCMXNFX-UHFFFAOYSA-N |
| INCHI | 1S/C17H26O6/c1-6-13(18)20-9-16(4,5)15-22-11-17(8-3,12-23-15)10-21-14(19)7-2/h6-7,15H,1-2,8-12H2,3-5H3 |
| Molecular Weight | 326.400 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Dioxanes |
| Subclass | 1,3-dioxanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,3-dioxanes |
| Alternative Parents | Dicarboxylic acids and derivatives Acrylic acid esters Enoate esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Meta-dioxane - Acrylic acid ester - Dicarboxylic acid or derivatives - Acrylic acid or derivatives - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3. |
| External Descriptors | Not available |
| Molecular Weight | 326.400 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 326.173 Da |
| Monoisotopic Mass | 326.173 Da |
| Topological Polar Surface Area | 71.100 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 446.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
