1,6,6-Trimethyl-3-tert-butyl-fulvene
TL;DR: 1,6,6-Trimethyl-3-tert-butyl-fulvene (CAS 334696-50-3) is a chemical compound with molecular formula C13H20 and molecular weight 176.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-1-methyl-5-propan-2-ylidenecyclopenta-1,3-diene
Also Known As: 1,6,6-Trimethyl-3-tert-butyl-fulvene, 3-tert-Butyl-1,6,6-trimethylfulvene, 3-tert-butyl-5,6,6-trimethylfulvene, 3-tert-butyl-1-methyl-5-propan-2-ylidenecyclopenta-1,3-diene, 3-tert-butyl-1-methyl-5-(propan-2-ylidene)cyclopenta-1,3-diene
| Molecular Formula | C13H20 |
|---|---|
| Molecular Weight | 176.16 g/mol |
| LogP | 4.2552 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.1565 |
| Heavy Atoms | 13 |
| Complexity | 299.42023 |
Chemical Identifiers
| CAS Number | 334696-50-3 |
|---|---|
| SMILES | CC1=CC(=CC1=C(C)C)C(C)(C)C |
Product Overview
1,6,6-Trimethyl-3-tert-butyl-fulvene (CAS 334696-50-3), with molecular formula C13H20 and molecular weight 176.16 g/mol. IUPAC: 3-tert-butyl-1-methyl-5-propan-2-ylidenecyclopenta-1,3-diene.
Chemical Property Profile of 1,6,6-Trimethyl-3-tert-butyl-fulvene
Property Insights of 1,6,6-Trimethyl-3-tert-butyl-fulvene
The XLogP value of 4.2552 indicates that 1,6,6-Trimethyl-3-tert-butyl-fulvene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,6,6-Trimethyl-3-tert-butyl-fulvene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6,6-Trimethyl-3-tert-butyl-fulvene 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
Frequently Asked Questions
What is the CAS number of 1,6,6-Trimethyl-3-tert-butyl-fulvene?
The CAS number of 1,6,6-Trimethyl-3-tert-butyl-fulvene is 334696-50-3.
What is the molecular formula of 1,6,6-Trimethyl-3-tert-butyl-fulvene?
The molecular formula of 1,6,6-Trimethyl-3-tert-butyl-fulvene is C13H20.
What is the molecular weight of 1,6,6-Trimethyl-3-tert-butyl-fulvene?
The molecular weight of 1,6,6-Trimethyl-3-tert-butyl-fulvene is 176.16 g/mol.
Where can I buy 1,6,6-Trimethyl-3-tert-butyl-fulvene?
You can request a quote for 1,6,6-Trimethyl-3-tert-butyl-fulvene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6,6-Trimethyl-3-tert-butyl-fulvene?
Yes, KEHONG BIO provides custom synthesis services for 1,6,6-Trimethyl-3-tert-butyl-fulvene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.