5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde
TL;DR: 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde (CAS 68259-31-4) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-7-propan-2-ylbicyclo[2.2.2]oct-4-ene-2-carbaldehyde
Also Known As: (5 or 6)-methyl-(7 o, 5(or 6)-Methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-ene-2-carbaldehyde, 5-methyl-7-propan-2-ylbicyclo[2.2.2]oct-4-ene-2-carbaldehyde, 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde, 5-methyl-7-(propan-2-yl)bicyclo[2.2.2]oct-4-ene-2-carbaldehyde
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 68259-31-4 |
|---|---|
| SMILES | CC1=C2CC(C(C1)C(C2)C(C)C)C=O |
| InChIKey | BNAYNPKNDLTBTJ-UHFFFAOYSA-N |
Product Overview
5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde (CAS 68259-31-4), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 5-methyl-7-propan-2-ylbicyclo[2.2.2]oct-4-ene-2-carbaldehyde.
Chemical Property Profile of 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde
Property Insights of 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde 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
Frequently Asked Questions
What is the CAS number of 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde?
The CAS number of 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde is 68259-31-4.
What is the molecular formula of 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde?
The molecular formula of 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde is C13H20O.
What is the molecular weight of 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde?
The molecular weight of 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde is 192.15 g/mol.
Where can I buy 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde?
You can request a quote for 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-ene-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.