2-Propylpentanal dimethyl acetal
TL;DR: 2-Propylpentanal dimethyl acetal (CAS 124345-16-0) is a chemical compound with molecular formula CCCC(CCC)C(OC)OC and molecular weight 174.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethoxymethyl)heptane
Also Known As: 4-(dimethoxymethyl)heptane, 2-Propylpentanal dimethyl acetal, 1,1-Dimethoxy-2-propylpentane, Heptane,4-(dimethoxymethyl)-, J2.249.903C
| Molecular Formula | CCCC(CCC)C(OC)OC |
|---|---|
| Molecular Weight | 174.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.16199 |
| Heavy Atoms | 12 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 124345-16-0 |
|---|---|
| SMILES | CCCC(CCC)C(OC)OC |
| InChIKey | WJZQRVYBJZHRLM-UHFFFAOYSA-N |
Product Overview
2-Propylpentanal dimethyl acetal (CAS 124345-16-0), with molecular formula CCCC(CCC)C(OC)OC and molecular weight 174.16 g/mol. IUPAC: 4-(dimethoxymethyl)heptane.
Chemical Property Profile of 2-Propylpentanal dimethyl acetal
Property Insights of 2-Propylpentanal dimethyl acetal
The XLogP value of 3.2 indicates that 2-Propylpentanal dimethyl acetal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Propylpentanal dimethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propylpentanal dimethyl acetal 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 2-Propylpentanal dimethyl acetal?
The CAS number of 2-Propylpentanal dimethyl acetal is 124345-16-0.
What is the molecular formula of 2-Propylpentanal dimethyl acetal?
The molecular formula of 2-Propylpentanal dimethyl acetal is CCCC(CCC)C(OC)OC.
What is the molecular weight of 2-Propylpentanal dimethyl acetal?
The molecular weight of 2-Propylpentanal dimethyl acetal is 174.16 g/mol.
Where can I buy 2-Propylpentanal dimethyl acetal?
You can request a quote for 2-Propylpentanal dimethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propylpentanal dimethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for 2-Propylpentanal dimethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.