2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol
TL;DR: 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol (CAS 5694-85-9) is a chemical compound with molecular formula C11H22O3 and molecular weight 202.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-heptan-3-yl-1,3-dioxolan-4-yl)methanol
Also Known As: 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol, 2- -1,3-dioxolane-4-methanol, (2-heptan-3-yl-1,3-dioxolan-4-yl)methanol, 1,3-DIOXOLANE-4-METHANOL, 2-(1-ETHYLPENTYL)-, [2-(heptan-3-yl)-1,3-dioxolan-4-yl]methanol
| Molecular Formula | C11H22O3 |
|---|---|
| Molecular Weight | 202.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.15689 |
| Heavy Atoms | 14 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 5694-85-9 |
|---|---|
| SMILES | CCCCC(CC)C1OCC(O1)CO |
| InChIKey | VNMRSUHVTDURNJ-UHFFFAOYSA-N |
Product Overview
2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol (CAS 5694-85-9), with molecular formula C11H22O3 and molecular weight 202.16 g/mol. IUPAC: (2-heptan-3-yl-1,3-dioxolan-4-yl)methanol.
Chemical Property Profile of 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol
Property Insights of 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol. With a topological polar surface area (TPSA) of 38.7 Ų, 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol has 1 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 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol?
The CAS number of 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol is 5694-85-9.
What is the molecular formula of 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol?
The molecular formula of 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol is C11H22O3.
What is the molecular weight of 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol?
The molecular weight of 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol is 202.16 g/mol.
Where can I buy 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol?
You can request a quote for 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Ethylpentyl)-1,3-dioxolane-4-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.