1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one
TL;DR: 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one (CAS 59671-45-3) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-hydroxycyclohexyl)-3,3-dimethylbutan-2-one
Also Known As: 1-(1-hydroxycyclohexyl)-3,3-dimethylbutan-2-one, CHEMBRDG-BB 5571056, tert-Butyl 1-hydroxycyclohexylmethyl ketone, 1,3,4-Oxadiazole,2,5-bis(4-butylphenyl), 1-(1-hydroxycyclohexyl)-3,3-dimethyl-2-butanone
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 2.6869 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 206.85184 |
Chemical Identifiers
| CAS Number | 59671-45-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC1(CCCCC1)O |
Product Overview
1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one (CAS 59671-45-3), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 1-(1-hydroxycyclohexyl)-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one
Property Insights of 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one
The XLogP value of 2.6869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one. With a topological polar surface area (TPSA) of 37.3 Ų, 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-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 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one?
The CAS number of 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one is 59671-45-3.
What is the molecular formula of 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one?
The molecular formula of 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one is C12H22O2.
What is the molecular weight of 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one?
The molecular weight of 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one is 198.16 g/mol.
Where can I buy 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one?
You can request a quote for 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.