Dimethyloctahydro-2-naphthaldehyde
TL;DR: Dimethyloctahydro-2-naphthaldehyde (CAS 70540-33-9) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carbaldehyde
Also Known As: Dimethyloctahydro-2-naphthaldehyde, 8,8-dimethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde, 2-Naphthalenecarboxaldehyde, octahydro-8,8-dimethyl-, Octahydro-8,8-dimethyl-2-naphthalenecarboxaldehyde, Octahydro-8,8-dimethyl-2-naphthalene carboxaldehyde
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 70540-33-9 |
|---|---|
| SMILES | CC1(CCCC2=C1C=C(C=C2)C=O)C |
| InChIKey | HJLINOOPKOQYJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyloctahydro-2-naphthaldehyde (CAS 70540-33-9), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 8,8-dimethyl-6,7-dihydro-5H-naphthalene-2-carbaldehyde.
Chemical Property Profile of Dimethyloctahydro-2-naphthaldehyde
Property Insights of Dimethyloctahydro-2-naphthaldehyde
The XLogP value of 3.6 indicates that Dimethyloctahydro-2-naphthaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Dimethyloctahydro-2-naphthaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyloctahydro-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 Dimethyloctahydro-2-naphthaldehyde?
The CAS number of Dimethyloctahydro-2-naphthaldehyde is 70540-33-9.
What is the molecular formula of Dimethyloctahydro-2-naphthaldehyde?
The molecular formula of Dimethyloctahydro-2-naphthaldehyde is C13H16O.
What is the molecular weight of Dimethyloctahydro-2-naphthaldehyde?
The molecular weight of Dimethyloctahydro-2-naphthaldehyde is 188.12 g/mol.
Where can I buy Dimethyloctahydro-2-naphthaldehyde?
You can request a quote for Dimethyloctahydro-2-naphthaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyloctahydro-2-naphthaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Dimethyloctahydro-2-naphthaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.