| Canonical Smiles | COC(CCCCCl)(OC)OC |
|---|---|
| IUPAC Name | 5-chloro-1,1,1-trimethoxypentane |
| InChIKey | UHDAOSQTFFOKOK-UHFFFAOYSA-N |
| INCHI | 1S/C8H17ClO3/c1-10-8(11-2,12-3)6-4-5-7-9/h4-7H2,1-3H3 |
| Molecular Weight | 196.67 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ortho esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Ortho esters |
| Alternative Parents | Carboxylic acid orthoesters Organochlorides Hydrocarbon derivatives Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Ortho ester - Carboxylic acid orthoester - Orthocarboxylic acid derivative - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as ortho esters. These are compounds having the general structure RC(OR')3 ( R' not H), or the structure C(OR')4 ( R' not H). |
| External Descriptors | Not available |
| Molecular Weight | 196.670 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 196.087 Da |
| Monoisotopic Mass | 196.087 Da |
| Topological Polar Surface Area | 27.700 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 96.200 |
| 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 |
