1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde
TL;DR: 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde (CAS 68991-97-9) 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.
8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbaldehyde
Also Known As: Cyclomugual, MELAFLEUR, muguet carboxaldehyde, 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde, 2-Octene, 3,7-dimethyl-, (Z)-
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 68991-97-9 |
|---|---|
| SMILES | CC1(CCCC2=C1CC(CC2)C=O)C |
| InChIKey | AQJANVUPNABWRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde (CAS 68991-97-9), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbaldehyde.
Chemical Property Profile of 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde
Property Insights of 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde 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 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde?
The CAS number of 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde is 68991-97-9.
What is the molecular formula of 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde?
The molecular formula of 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde is C13H20O.
What is the molecular weight of 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde?
The molecular weight of 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde is 192.15 g/mol.
Where can I buy 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde?
You can request a quote for 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,6,7,8-Octahydro-8,8-dimethyl-2-naphthaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.