6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone
TL;DR: 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone (CAS 54869-06-6) is a chemical compound with molecular formula C16H28O and molecular weight 236.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
Also Known As: 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone, Decahydro-6-tert-butyl-2,8a-dimethylnaphthalen-1-one, 6-tert-butyl-2,8a-dimethyl-decahydronaphthalen-1-one, 1(2H)-Naphthalenone, 6-(1,1-dimethylethyl)octahydro-2,8a-dimethyl-, 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone #
| Molecular Formula | C16H28O |
|---|---|
| Molecular Weight | 236.21 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.21402 |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 54869-06-6 |
|---|---|
| SMILES | CC1CCC2CC(CCC2(C1=O)C)C(C)(C)C |
| InChIKey | VKBXHFYLVWUIHC-UHFFFAOYSA-N |
Product Overview
6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone (CAS 54869-06-6), with molecular formula C16H28O and molecular weight 236.21 g/mol. IUPAC: 6-tert-butyl-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one.
Chemical Property Profile of 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone
Property Insights of 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone
The XLogP value of 5.0 indicates that 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone 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-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone?
The CAS number of 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone is 54869-06-6.
What is the molecular formula of 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone?
The molecular formula of 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone is C16H28O.
What is the molecular weight of 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone?
The molecular weight of 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone is 236.21 g/mol.
Where can I buy 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone?
You can request a quote for 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-2,8a-dimethyloctahydro-1(2H)-naphthalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.