2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one
TL;DR: 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one (CAS 50421-83-5) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one
Also Known As: 2-(hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one, 2-(Hydroxymethylene)-3-methyl-6-(1-methylethyl)cyclohexanone, 2-(Hydroxymethylene)-6-(isopropyl)-3-methylcyclohexan-1-one, 2-(hydroxymethylidene)-3-methyl-6-(propan-2-yl)cyclohexan-1-one, Cyclohexanone,2-(hydroxymethylene)-3-methyl-6-(1-methylethyl)-
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 50421-83-5 |
|---|---|
| SMILES | CC1CCC(C(=O)C1=CO)C(C)C |
| InChIKey | YIQAYHQJSPWHMX-UHFFFAOYSA-N |
Product Overview
2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one (CAS 50421-83-5), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 2-(hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one.
Chemical Property Profile of 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one
Property Insights of 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one
The XLogP value of 3.0 indicates that 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one has 1 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 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one?
The CAS number of 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one is 50421-83-5.
What is the molecular formula of 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one?
The molecular formula of 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one is C11H18O2.
What is the molecular weight of 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one?
The molecular weight of 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one is 182.13 g/mol.
Where can I buy 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one?
You can request a quote for 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Hydroxymethylidene)-3-methyl-6-propan-2-ylcyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.