Benzene, 1-(1-methylethyl)-3-propyl
TL;DR: Benzene, 1-(1-methylethyl)-3-propyl (CAS 121954-61-8) is a chemical compound with molecular formula C12H18 and molecular weight 162.14085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-propan-2-yl-3-propylbenzene
Also Known As: 1-propan-2-yl-3-propylbenzene, Benzene, 1-(1-methylethyl)-3-propyl, 1-isoPropyl-3-n-Propylbenzene, 1-isopropyl-3-propylbenzene, 1-Propyl-3-isopropylbenzene
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18 |
| Molecular Weight | 162.14085 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.14085 Da |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
| SMILES | CCCC1=CC(=CC=C1)C(C)C |
| InChIKey | DSHOOBWVUTWYNK-UHFFFAOYSA-N |
Chemical Property Profile of Benzene, 1-(1-methylethyl)-3-propyl
Property Insights of Benzene, 1-(1-methylethyl)-3-propyl
The XLogP value of 4.4 indicates that Benzene, 1-(1-methylethyl)-3-propyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1-(1-methylethyl)-3-propyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(1-methylethyl)-3-propyl has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzene, 1-(1-methylethyl)-3-propyl?
The CAS number of Benzene, 1-(1-methylethyl)-3-propyl is 121954-61-8.
What is the molecular formula of Benzene, 1-(1-methylethyl)-3-propyl?
The molecular formula of Benzene, 1-(1-methylethyl)-3-propyl is C12H18.
What is the molecular weight of Benzene, 1-(1-methylethyl)-3-propyl?
The molecular weight of Benzene, 1-(1-methylethyl)-3-propyl is 162.14085 g/mol.
Where can I buy Benzene, 1-(1-methylethyl)-3-propyl?
You can request a quote for Benzene, 1-(1-methylethyl)-3-propyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene, 1-(1-methylethyl)-3-propyl?
Yes, CoreyChem provides custom synthesis services for Benzene, 1-(1-methylethyl)-3-propyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.