4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal
TL;DR: 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal (CAS 127600-13-9) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,5-dimethyl-1,3-dioxan-2-yl)butanal
Also Known As: 4-(5,5-dimethyl-1,3-dioxan-2-yl)butanal, 5,5-Dimethyl-1,3-dioxane-2-butanal, 5,5-Dimethyl-2-butanal-1,3-dioxane, Glutaraldehyde mono-neopentyl glycol acetal, 5,5-Dimethyl-2-(3-formylpropyl)-1,3-dioxane
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 1.7547 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 155.5528 |
Chemical Identifiers
| CAS Number | 127600-13-9 |
|---|---|
| SMILES | CC1(COC(OC1)CCCC=O)C |
Product Overview
4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal (CAS 127600-13-9), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: 4-(5,5-dimethyl-1,3-dioxan-2-yl)butanal.
Chemical Property Profile of 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal
Property Insights of 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal
The XLogP value of 1.7547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal. With a topological polar surface area (TPSA) of 35.53 Ų, 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal has 0 hydrogen bond donor(s) and 3 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 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal?
The CAS number of 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal is 127600-13-9.
What is the molecular formula of 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal?
The molecular formula of 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal is C10H18O3.
What is the molecular weight of 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal?
The molecular weight of 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal is 186.13 g/mol.
Where can I buy 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal?
You can request a quote for 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal?
Yes, KEHONG BIO provides custom synthesis services for 4-(5,5-Dimethyl-1,3-dioxan-2-yl)butanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.