Hexane, 1,1-dimethoxy-3,5,5-trimethyl-
TL;DR: Hexane, 1,1-dimethoxy-3,5,5-trimethyl- (CAS 945-43-7) is a chemical compound with molecular formula C11H24O2 and molecular weight 188.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethoxy-3,5,5-trimethylhexane
Also Known As: Isononanal dimethyl acetal, Alpinal dimethyl acetal, 1,1-Dimethoxy-3,5,5-trimethylhexane, ISONOMETAL 3993 P, Hexane, 1,1-dimethoxy-3,5,5-trimethyl-
| Molecular Formula | C11H24O2 |
|---|---|
| Molecular Weight | 188.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.17763 |
| Heavy Atoms | 13 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 945-43-7 |
|---|---|
| SMILES | CC(CC(OC)OC)CC(C)(C)C |
| InChIKey | OKMANJUJOSTZGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexane, 1,1-dimethoxy-3,5,5-trimethyl- (CAS 945-43-7), with molecular formula C11H24O2 and molecular weight 188.18 g/mol. IUPAC: 1,1-dimethoxy-3,5,5-trimethylhexane.
Chemical Property Profile of Hexane, 1,1-dimethoxy-3,5,5-trimethyl-
Property Insights of Hexane, 1,1-dimethoxy-3,5,5-trimethyl-
The XLogP value of 3.5 indicates that Hexane, 1,1-dimethoxy-3,5,5-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Hexane, 1,1-dimethoxy-3,5,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexane, 1,1-dimethoxy-3,5,5-trimethyl- 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 Hexane, 1,1-dimethoxy-3,5,5-trimethyl-?
The CAS number of Hexane, 1,1-dimethoxy-3,5,5-trimethyl- is 945-43-7.
What is the molecular formula of Hexane, 1,1-dimethoxy-3,5,5-trimethyl-?
The molecular formula of Hexane, 1,1-dimethoxy-3,5,5-trimethyl- is C11H24O2.
What is the molecular weight of Hexane, 1,1-dimethoxy-3,5,5-trimethyl-?
The molecular weight of Hexane, 1,1-dimethoxy-3,5,5-trimethyl- is 188.18 g/mol.
Where can I buy Hexane, 1,1-dimethoxy-3,5,5-trimethyl-?
You can request a quote for Hexane, 1,1-dimethoxy-3,5,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexane, 1,1-dimethoxy-3,5,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Hexane, 1,1-dimethoxy-3,5,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.