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5-Butyl-1,3-cyclopentadiene , CAS No.90317-56-9
AVAILABLE TO ORDER
Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
| Canonical Smiles | CCCCC1C=CC=C1 |
|---|---|
| IUPAC Name | 5-butylcyclopenta-1,3-diene |
| InChIKey | LDZPPZNDWQFMAU-UHFFFAOYSA-N |
| INCHI | 1S/C9H14/c1-2-3-6-9-7-4-5-8-9/h4-5,7-9H,2-3,6H2,1H3 |
| Isomeric SMILES | CCCCC1C=CC=C1 |
| PubChem CID | 528183 |
| Molecular Weight | 122.21 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Hydrocarbons
- Class Unsaturated hydrocarbons
- Subclass Olefins
- Level5 Cyclic olefins
- Level6 Cycloalkenes
- Level5 Cyclic olefins
- Subclass Olefins
- Class Unsaturated hydrocarbons
- Superclass Hydrocarbons
| Kingdom | Organic compounds |
|---|---|
| Superclass | Hydrocarbons |
| Class | Unsaturated hydrocarbons |
| Subclass | Olefins |
| Intermediate Tree Nodes | Cyclic olefins |
| Direct Parent | Cycloalkenes |
| Alternative Parents | Unsaturated aliphatic hydrocarbons |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cycloalkene - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 122.210 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 3 |
| Exact Mass | 122.11 Da |
| Monoisotopic Mass | 122.11 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 108.000 |
| 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 |
Solution Calculators
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