(3-Neopentyl-4-pentenyl)benzene
TL;DR: (3-Neopentyl-4-pentenyl)benzene (CAS 74810-75-6) is a chemical compound with molecular formula C16H24 and molecular weight 216.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-ethenyl-5,5-dimethylhexyl)benzene
Also Known As: (3-Neopentyl-4-pentenyl)benzene, (3-ethenyl-5,5-dimethylhexyl)benzene, (3-Neopentyl-4-pentenyl)benzene #, 5,5-Dimethyl-3-phenethyl-1-hexene, Benzene, (3-ethenyl-5,5-dimethylhexyl)-
| Molecular Formula | C16H24 |
|---|---|
| Molecular Weight | 216.19 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.1878 |
| Heavy Atoms | 16 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 74810-75-6 |
|---|---|
| SMILES | CC(C)(C)CC(CCC1=CC=CC=C1)C=C |
| InChIKey | RRMJQLLKDKLMBN-UHFFFAOYSA-N |
Product Overview
(3-Neopentyl-4-pentenyl)benzene (CAS 74810-75-6), with molecular formula C16H24 and molecular weight 216.19 g/mol. IUPAC: (3-ethenyl-5,5-dimethylhexyl)benzene.
Chemical Property Profile of (3-Neopentyl-4-pentenyl)benzene
Property Insights of (3-Neopentyl-4-pentenyl)benzene
The XLogP value of 5.9 indicates that (3-Neopentyl-4-pentenyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (3-Neopentyl-4-pentenyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Neopentyl-4-pentenyl)benzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Neopentyl-4-pentenyl)benzene?
The CAS number of (3-Neopentyl-4-pentenyl)benzene is 74810-75-6.
What is the molecular formula of (3-Neopentyl-4-pentenyl)benzene?
The molecular formula of (3-Neopentyl-4-pentenyl)benzene is C16H24.
What is the molecular weight of (3-Neopentyl-4-pentenyl)benzene?
The molecular weight of (3-Neopentyl-4-pentenyl)benzene is 216.19 g/mol.
Where can I buy (3-Neopentyl-4-pentenyl)benzene?
You can request a quote for (3-Neopentyl-4-pentenyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Neopentyl-4-pentenyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (3-Neopentyl-4-pentenyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.