1,3-Dioxane, 2-pentyl-
TL;DR: 1,3-Dioxane, 2-pentyl- (CAS 5663-29-6) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pentyl-1,3-dioxane
Also Known As: 2-Pentyl-1,3-dioxane, 1,3-Dioxane, 2-pentyl-, 1,3-Dioxane,2-pentyl, 227-118-7, EINECS 227-118-7
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 5663-29-6 |
|---|---|
| SMILES | CCCCCC1OCCCO1 |
| InChIKey | SMUIAOJZCSQUSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxane, 2-pentyl- (CAS 5663-29-6), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 2-pentyl-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 2-pentyl-
Property Insights of 1,3-Dioxane, 2-pentyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxane, 2-pentyl-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxane, 2-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 2-pentyl- 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 1,3-Dioxane, 2-pentyl-?
The CAS number of 1,3-Dioxane, 2-pentyl- is 5663-29-6.
What is the molecular formula of 1,3-Dioxane, 2-pentyl-?
The molecular formula of 1,3-Dioxane, 2-pentyl- is C9H18O2.
What is the molecular weight of 1,3-Dioxane, 2-pentyl-?
The molecular weight of 1,3-Dioxane, 2-pentyl- is 158.13 g/mol.
Where can I buy 1,3-Dioxane, 2-pentyl-?
You can request a quote for 1,3-Dioxane, 2-pentyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxane, 2-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 2-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.