6-Methyl-6-ethylfulvene
TL;DR: 6-Methyl-6-ethylfulvene (CAS 3141-02-4) is a chemical compound with molecular formula C9H12 and molecular weight 120.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butan-2-ylidenecyclopenta-1,3-diene
Also Known As: 6-Methyl-6-ethylfulvene, Ethylmethylfulvene, 6-Ethyl-6-methylfulvene, 1- -2,4-cyclopentadiene, Fulvene, 6-ethyl-6-methyl-
| Molecular Formula | C9H12 |
|---|---|
| Molecular Weight | 120.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.0939 |
| Heavy Atoms | 9 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 3141-02-4 |
|---|---|
| SMILES | CCC(=C1C=CC=C1)C |
| InChIKey | HRYYXFYLNRICQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methyl-6-ethylfulvene (CAS 3141-02-4), with molecular formula C9H12 and molecular weight 120.09 g/mol. IUPAC: 5-butan-2-ylidenecyclopenta-1,3-diene.
Chemical Property Profile of 6-Methyl-6-ethylfulvene
Property Insights of 6-Methyl-6-ethylfulvene
The XLogP value of 3.3 indicates that 6-Methyl-6-ethylfulvene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 6-Methyl-6-ethylfulvene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-6-ethylfulvene 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 6-Methyl-6-ethylfulvene?
The CAS number of 6-Methyl-6-ethylfulvene is 3141-02-4.
What is the molecular formula of 6-Methyl-6-ethylfulvene?
The molecular formula of 6-Methyl-6-ethylfulvene is C9H12.
What is the molecular weight of 6-Methyl-6-ethylfulvene?
The molecular weight of 6-Methyl-6-ethylfulvene is 120.09 g/mol.
Where can I buy 6-Methyl-6-ethylfulvene?
You can request a quote for 6-Methyl-6-ethylfulvene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methyl-6-ethylfulvene?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-6-ethylfulvene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.