![3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane structure](/static/products/1300/13002-13-6.webp)
3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane
TL;DR: 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane (CAS 13002-13-6) is a chemical compound with molecular formula C13H28O2 and molecular weight 216.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-[1-(3-methylbutoxy)propoxy]butane
Also Known As: 3-methyl-1-[1-(3-methylbutoxy)propoxy]butane, PROPANAL DIISOAMYL ACETAL, Propionaldehyde diisopentyl acetal, 1,1'-(Propylidenebis(oxy))bis(3-methylbutane), Propionaldehyde bis(3-methylbutyl)acetal
| Molecular Formula | C13H28O2 |
|---|---|
| Molecular Weight | 216.21 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.20892 |
| Heavy Atoms | 15 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 13002-13-6 |
|---|---|
| SMILES | CCC(OCCC(C)C)OCCC(C)C |
| InChIKey | MQOHVHXEZYLDJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane (CAS 13002-13-6), with molecular formula C13H28O2 and molecular weight 216.21 g/mol. IUPAC: 3-methyl-1-[1-(3-methylbutoxy)propoxy]butane.
Chemical Property Profile of 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane
Property Insights of 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane
The XLogP value of 4.4 indicates that 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane 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-Methyl-1-[1-(3-methylbutoxy)propoxy]butane?
The CAS number of 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane is 13002-13-6.
What is the molecular formula of 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane?
The molecular formula of 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane is C13H28O2.
What is the molecular weight of 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane?
The molecular weight of 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane is 216.21 g/mol.
Where can I buy 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane?
You can request a quote for 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-[1-(3-methylbutoxy)propoxy]butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.