![3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]- structure](/static/products/5499/54992-91-5.webp)
3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]-
TL;DR: 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]- (CAS 54992-91-5) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one
Also Known As: Irone, beta-Irone, BETA-N-METHYLIONONE, 4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]-3-buten-2-one
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 54992-91-5 |
|---|---|
| SMILES | CC1CCC(=C(C1(C)C)C=CC(=O)C)C |
| InChIKey | BGKCUGPVLVNPSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]- (CAS 54992-91-5), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one.
Chemical Property Profile of 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]-
Property Insights of 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]-
The XLogP value of 3.2 indicates that 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]- 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 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]-?
The CAS number of 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]- is 54992-91-5.
What is the molecular formula of 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]-?
The molecular formula of 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]- is C14H22O.
What is the molecular weight of 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]-?
The molecular weight of 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]- is 206.17 g/mol.
Where can I buy 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]-?
You can request a quote for 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]-?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-[2,5,6,6-tetramethyl-1(or 2)-cyclohexen-1-yl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.