1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone
TL;DR: 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone (CAS 83041-29-6) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-(5-propan-2-yloxolan-2-yl)butan-2-one
Also Known As: 1- -3,3-dimethyl-2-butanone, 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone, 3,3-dimethyl-1-(5-propan-2-yloxolan-2-yl)butan-2-one, 3,3-Dimethyl-1-[5-(propan-2-yl)oxolan-2-yl]butan-2-one, 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone #
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 83041-29-6 |
|---|---|
| SMILES | CC(C)C1CCC(O1)CC(=O)C(C)(C)C |
| InChIKey | BEXBOQQMFNJBMO-UHFFFAOYSA-N |
Product Overview
1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone (CAS 83041-29-6), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: 3,3-dimethyl-1-(5-propan-2-yloxolan-2-yl)butan-2-one.
Chemical Property Profile of 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone
Property Insights of 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone
The XLogP value of 3.1 indicates that 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone 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-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone?
The CAS number of 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone is 83041-29-6.
What is the molecular formula of 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone?
The molecular formula of 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone is C13H24O2.
What is the molecular weight of 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone?
The molecular weight of 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone is 212.18 g/mol.
Where can I buy 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone?
You can request a quote for 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Isopropyltetrahydro-2-furanyl)-3,3-dimethyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.