(E,2S)-2,6-dimethyloct-5-enal
TL;DR: (E,2S)-2,6-dimethyloct-5-enal (CAS 72845-35-3) is a chemical compound with molecular formula C10H18O and molecular weight 154.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,2S)-2,6-dimethyloct-5-enal
Also Known As: 2,6-Dimethyl-5-octenal, 5-Octenal, 2,6-dimethyl-, (E,2S)-2,6-dimethyloct-5-enal
| Molecular Formula | C10H18O |
|---|---|
| Molecular Weight | 154.14 g/mol |
| LogP | 2.9579 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 154.13577 |
| Heavy Atoms | 11 |
| Complexity | 135.8082 |
Chemical Identifiers
| CAS Number | 72845-35-3 |
|---|---|
| SMILES | CC/C(=C/CC[C@H](C)C=O)/C |
Product Overview
(E,2S)-2,6-dimethyloct-5-enal (CAS 72845-35-3), with molecular formula C10H18O and molecular weight 154.14 g/mol. IUPAC: (E,2S)-2,6-dimethyloct-5-enal.
Chemical Property Profile of (E,2S)-2,6-dimethyloct-5-enal
Property Insights of (E,2S)-2,6-dimethyloct-5-enal
The XLogP value of 2.9579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E,2S)-2,6-dimethyloct-5-enal. With a topological polar surface area (TPSA) of 17.07 Ų, (E,2S)-2,6-dimethyloct-5-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E,2S)-2,6-dimethyloct-5-enal 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 (E,2S)-2,6-dimethyloct-5-enal?
The CAS number of (E,2S)-2,6-dimethyloct-5-enal is 72845-35-3.
What is the molecular formula of (E,2S)-2,6-dimethyloct-5-enal?
The molecular formula of (E,2S)-2,6-dimethyloct-5-enal is C10H18O.
What is the molecular weight of (E,2S)-2,6-dimethyloct-5-enal?
The molecular weight of (E,2S)-2,6-dimethyloct-5-enal is 154.14 g/mol.
Where can I buy (E,2S)-2,6-dimethyloct-5-enal?
You can request a quote for (E,2S)-2,6-dimethyloct-5-enal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E,2S)-2,6-dimethyloct-5-enal?
Yes, KEHONG BIO provides custom synthesis services for (E,2S)-2,6-dimethyloct-5-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.