3-Cyclohexene-1-carboxaldehyde
TL;DR: 3-Cyclohexene-1-carboxaldehyde (CAS 100-50-5) is a chemical compound with molecular formula C7H10O and molecular weight 110.073166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohex-3-ene-1-carbaldehyde
Also Known As: 3-CYCLOHEXENE-1-CARBOXALDEHYDE, 4-Formylcyclohexene, Cyclohex-3-ene-1-carbaldehyde, 1,2,3,6-Tetrahydrobenzaldehyde, 1-Formyl-3-cyclohexene
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H10O |
| Molecular Weight | 110.073166 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 110.073166 Da |
| Heavy Atoms | 8 |
| Complexity | 105.0 |
| Melting Point | 2 °C |
| Boiling Point | 105 °C |
| Density | 0.9694 @ 20 °C/4 °C |
| Flash Point | 135 °F (NFPA, 2010) |
| Vapor Pressure | 1.8 [mmHg] |
| Refractive Index | MAXIMUM ABSORPTION (ETHANOL): 231 NM (LOG E= 4.12); INDEX OF REFRACTION: 1.5005 @ 20 °C/D |
| Solubility | Soluble in acetone and methanol, slightly soluble in cabon tetrachloride. |
| SMILES | C1CC(CC=C1)C=O |
| InChIKey | DCFDVJPDXYGCOK-UHFFFAOYSA-N |
Product Description
Applications: 3-Cyclohexene-1-carboxaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 3-Cyclohexene-1-carboxaldehyde (CAS 100-50-5) has the molecular formula C7H10O and a molecular weight of 110.07 g/mol. Reported properties include a density of 0.9694 @ 20 °C/4 °C g/cm³, a solubility: Soluble in acetone and methanol, slightly soluble in cabon tetrachloride. Synonyms include 3-CYCLOHEXENE-1-CARBOXALDEHYDE and 4-Formylcyclohexene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Cyclohexene-1-carboxaldehyde
Property Insights of 3-Cyclohexene-1-carboxaldehyde
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexene-1-carboxaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Cyclohexene-1-carboxaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-carboxaldehyde has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Cyclohexene-1-carboxaldehyde?
The CAS number of 3-Cyclohexene-1-carboxaldehyde is 100-50-5.
What is the molecular formula of 3-Cyclohexene-1-carboxaldehyde?
The molecular formula of 3-Cyclohexene-1-carboxaldehyde is C7H10O.
What is the molecular weight of 3-Cyclohexene-1-carboxaldehyde?
The molecular weight of 3-Cyclohexene-1-carboxaldehyde is 110.073166 g/mol.
What are the applications of 3-Cyclohexene-1-carboxaldehyde?
3-Cyclohexene-1-carboxaldehyde is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy 3-Cyclohexene-1-carboxaldehyde?
You can request a quote for 3-Cyclohexene-1-carboxaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Cyclohexene-1-carboxaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-Cyclohexene-1-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.