2,6-Di(propan-2-yl)cyclohexanone
TL;DR: 2,6-Di(propan-2-yl)cyclohexanone (CAS 35579-37-4) is a chemical compound with molecular formula C12H22O and molecular weight 182.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-di(propan-2-yl)cyclohexan-1-one
Also Known As: 2,6-di(propan-2-yl)cyclohexanone, 2,6-diisopropylcyclohexanone, 2,6-di(propan-2-yl)cyclohexan-1-one, cis-2,6-Diisopropyl-cyclohexanon, 2,6-Dipropan-2-ylcyclohexan-1-one
| Molecular Formula | C12H22O |
|---|---|
| Molecular Weight | 182.17 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.16707 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 35579-37-4 |
|---|---|
| SMILES | CC(C)C1CCCC(C1=O)C(C)C |
| InChIKey | PGJQLHKRMIBFCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Di(propan-2-yl)cyclohexanone (CAS 35579-37-4), with molecular formula C12H22O and molecular weight 182.17 g/mol. IUPAC: 2,6-di(propan-2-yl)cyclohexan-1-one.
Chemical Property Profile of 2,6-Di(propan-2-yl)cyclohexanone
Property Insights of 2,6-Di(propan-2-yl)cyclohexanone
The XLogP value of 3.7 indicates that 2,6-Di(propan-2-yl)cyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,6-Di(propan-2-yl)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Di(propan-2-yl)cyclohexanone has 0 hydrogen bond donor(s) and 1 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 2,6-Di(propan-2-yl)cyclohexanone?
The CAS number of 2,6-Di(propan-2-yl)cyclohexanone is 35579-37-4.
What is the molecular formula of 2,6-Di(propan-2-yl)cyclohexanone?
The molecular formula of 2,6-Di(propan-2-yl)cyclohexanone is C12H22O.
What is the molecular weight of 2,6-Di(propan-2-yl)cyclohexanone?
The molecular weight of 2,6-Di(propan-2-yl)cyclohexanone is 182.17 g/mol.
Where can I buy 2,6-Di(propan-2-yl)cyclohexanone?
You can request a quote for 2,6-Di(propan-2-yl)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Di(propan-2-yl)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Di(propan-2-yl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.