1,1-Dibutoxy-isobutane
TL;DR: 1,1-Dibutoxy-isobutane (CAS 13112-62-4) is a chemical compound with molecular formula C12H26O2 and molecular weight 202.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dibutoxy-2-methylpropane
Also Known As: 1,1-dibutoxy-2-methylpropane, 1,1-Dibutoxy-isobutane, 1,1-dibutoxyisobutane, 2-Methylpropanal dibutyl acetal, iso-butyraldehyde di-n-butyl acetal
| Molecular Formula | C12H26O2 |
|---|---|
| Molecular Weight | 202.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.19328 |
| Heavy Atoms | 14 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 13112-62-4 |
|---|---|
| SMILES | CCCCOC(C(C)C)OCCCC |
| InChIKey | CREOWTMHZJTOFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dibutoxy-isobutane (CAS 13112-62-4), with molecular formula C12H26O2 and molecular weight 202.19 g/mol. IUPAC: 1,1-dibutoxy-2-methylpropane.
Chemical Property Profile of 1,1-Dibutoxy-isobutane
Property Insights of 1,1-Dibutoxy-isobutane
The XLogP value of 3.9 indicates that 1,1-Dibutoxy-isobutane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,1-Dibutoxy-isobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dibutoxy-isobutane 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 1,1-Dibutoxy-isobutane?
The CAS number of 1,1-Dibutoxy-isobutane is 13112-62-4.
What is the molecular formula of 1,1-Dibutoxy-isobutane?
The molecular formula of 1,1-Dibutoxy-isobutane is C12H26O2.
What is the molecular weight of 1,1-Dibutoxy-isobutane?
The molecular weight of 1,1-Dibutoxy-isobutane is 202.19 g/mol.
Where can I buy 1,1-Dibutoxy-isobutane?
You can request a quote for 1,1-Dibutoxy-isobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dibutoxy-isobutane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dibutoxy-isobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.