6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one
TL;DR: 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one (CAS 69007-46-1) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
Also Known As: EINECS 273-682-2, 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one, 6-tert-butyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-one, 6-tert-butyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one, 6-tert-Butyl-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 3.8822 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 303.79062 |
Chemical Identifiers
| CAS Number | 69007-46-1 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)CCC(=O)C2 |
Product Overview
6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one (CAS 69007-46-1), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 6-tert-butyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one.
Chemical Property Profile of 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one
Property Insights of 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one
The XLogP value of 3.8822 indicates that 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one 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 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one?
The CAS number of 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one is 69007-46-1.
What is the molecular formula of 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one?
The molecular formula of 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one is C14H22O.
What is the molecular weight of 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one?
The molecular weight of 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one is 206.17 g/mol.
Where can I buy 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one?
You can request a quote for 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,1-Dimethylethyl)-3,4,5,6,7,8-hexahydronaphthalen-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.