3-((1,1-Dimethylethoxy)methyl)heptane
TL;DR: 3-((1,1-Dimethylethoxy)methyl)heptane (CAS 83704-03-4) is a chemical compound with molecular formula C12H26O and molecular weight 186.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylpropan-2-yl)oxymethyl]heptane
Also Known As: 3-[(1,1-DIMETHYLETHOXY)METHYL]HEPTANE, 3-(tert-Butoxymethyl)heptane, 1-(TERT-BUTOXY)-2-ETHYLHEXANE, 3-[(2-methylpropan-2-yl)oxymethyl]heptane, EINECS 280-522-5
| Molecular Formula | C12H26O |
|---|---|
| Molecular Weight | 186.20 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.19836 |
| Heavy Atoms | 13 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 83704-03-4 |
|---|---|
| SMILES | CCCCC(CC)COC(C)(C)C |
| InChIKey | JATPQYIRMHQKTK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((1,1-Dimethylethoxy)methyl)heptane (CAS 83704-03-4), with molecular formula C12H26O and molecular weight 186.20 g/mol. IUPAC: 3-[(2-methylpropan-2-yl)oxymethyl]heptane.
Chemical Property Profile of 3-((1,1-Dimethylethoxy)methyl)heptane
Property Insights of 3-((1,1-Dimethylethoxy)methyl)heptane
The XLogP value of 4.6 indicates that 3-((1,1-Dimethylethoxy)methyl)heptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3-((1,1-Dimethylethoxy)methyl)heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((1,1-Dimethylethoxy)methyl)heptane 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 3-((1,1-Dimethylethoxy)methyl)heptane?
The CAS number of 3-((1,1-Dimethylethoxy)methyl)heptane is 83704-03-4.
What is the molecular formula of 3-((1,1-Dimethylethoxy)methyl)heptane?
The molecular formula of 3-((1,1-Dimethylethoxy)methyl)heptane is C12H26O.
What is the molecular weight of 3-((1,1-Dimethylethoxy)methyl)heptane?
The molecular weight of 3-((1,1-Dimethylethoxy)methyl)heptane is 186.20 g/mol.
Where can I buy 3-((1,1-Dimethylethoxy)methyl)heptane?
You can request a quote for 3-((1,1-Dimethylethoxy)methyl)heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((1,1-Dimethylethoxy)methyl)heptane?
Yes, KEHONG BIO provides custom synthesis services for 3-((1,1-Dimethylethoxy)methyl)heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.