3,7-Dimethylocta-2,6-dienal;propan-2-one
TL;DR: 3,7-Dimethylocta-2,6-dienal;propan-2-one (CAS 68937-52-0) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-2,6-dienal;propan-2-one
Also Known As: ACETONE; (2E)-3,7-DIMETHYLOCTA-2,6-DIENAL, 2,6-Octadienal, 3,7-dimethyl-, reaction products with acetone, by product from, distillation lights, 2,6-Octadienal, 3,7-dimethyl-, reaction products with acetone, by-products from, distn. lights
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 3.4733 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 68937-52-0 |
|---|---|
| SMILES | CC(=CCCC(=CC=O)C)C.CC(=O)C |
| InChIKey | GDTFWFALBVLQJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethylocta-2,6-dienal;propan-2-one (CAS 68937-52-0), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienal;propan-2-one.
Chemical Property Profile of 3,7-Dimethylocta-2,6-dienal;propan-2-one
Property Insights of 3,7-Dimethylocta-2,6-dienal;propan-2-one
The XLogP value of 3.4733 indicates that 3,7-Dimethylocta-2,6-dienal;propan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 3,7-Dimethylocta-2,6-dienal;propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylocta-2,6-dienal;propan-2-one has 0 hydrogen bond donor(s) and 2 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 3,7-Dimethylocta-2,6-dienal;propan-2-one?
The CAS number of 3,7-Dimethylocta-2,6-dienal;propan-2-one is 68937-52-0.
What is the molecular formula of 3,7-Dimethylocta-2,6-dienal;propan-2-one?
The molecular formula of 3,7-Dimethylocta-2,6-dienal;propan-2-one is C13H22O2.
What is the molecular weight of 3,7-Dimethylocta-2,6-dienal;propan-2-one?
The molecular weight of 3,7-Dimethylocta-2,6-dienal;propan-2-one is 210.16 g/mol.
Where can I buy 3,7-Dimethylocta-2,6-dienal;propan-2-one?
You can request a quote for 3,7-Dimethylocta-2,6-dienal;propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethylocta-2,6-dienal;propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dimethylocta-2,6-dienal;propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.