| Canonical Smiles | C1CCC2C(C1)C3CCCCC3O2 |
|---|---|
| IUPAC Name | 1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran |
| InChIKey | XTDNMGZRUWMVLT-UHFFFAOYSA-N |
| INCHI | 1S/C12H20O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h9-12H,1-8H2 |
| Isomeric SMILES | C1CCC2C(C1)C3CCCCC3O2 |
| Molecular Weight | 180.29 |
| Reaxy-Rn | 108008 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108008&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Oxolanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxolanes |
| Alternative Parents | Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Oxolane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxolanes. These are organic compounds containing an oxolane (tetrahydrofuran) ring, which is a saturated aliphatic five-member ring containing one oxygen and five carbon atoms. |
| External Descriptors | Not available |
| Refractive Index | 1.5 |
|---|---|
| Flash Point(°C) | 84 °C |
| Boil Point(°C) | 259°C(lit.) |
| Molecular Weight | 180.290 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 180.151 Da |
| Monoisotopic Mass | 180.151 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 170.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
