2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-
TL;DR: 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)- (CAS 34131-98-1) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
Also Known As: Decatone, 6-Isopropyl-2-decalone, 6-Isopropyldecalone, 6-isopropyloctahydronaphthalen-2(1h)-one, 6-Isopropyl-2(1H)-octahydronaphthalenone
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
| Boiling Point | 273.00 to 274.00 °C. @ 760.00 mm Hg |
| Solubility | 32 mg/L @ 20 °C (exp) |
Chemical Identifiers
| CAS Number | 34131-98-1 |
|---|---|
| SMILES | CC(C)C1CCC2CC(=O)CCC2C1 |
| InChIKey | HEKJOMVJRYMUDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)- (CAS 34131-98-1), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: 6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one.
Chemical Property Profile of 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-
Property Insights of 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-
The XLogP value of 3.5 indicates that 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)- 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(1H)-Naphthalenone, octahydro-6-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)- 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(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-?
The CAS number of 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)- is 34131-98-1.
What is the molecular formula of 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-?
The molecular formula of 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)- is C13H22O.
What is the molecular weight of 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-?
The molecular weight of 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)- is 194.17 g/mol.
Where can I buy 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-?
You can request a quote for 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.