3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv.
TL;DR: 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv. (CAS 664302-86-7) 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.
(E)-1-(2,2-dimethyl-6-methylidenecyclohexyl)pent-1-en-3-one
Also Known As: gamma-Methyl ionone, .gamma.-Methyl ionone, GAMMA-METHYLIONONE, EINECS 248-449-3, EINECS 264-653-5
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 3.9042 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 283.71384 |
Chemical Identifiers
| CAS Number | 664302-86-7 |
|---|---|
| SMILES | CCC(=O)/C=C/C1C(=C)CCCC1(C)C |
Product Overview
3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv. (CAS 664302-86-7), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: (E)-1-(2,2-dimethyl-6-methylidenecyclohexyl)pent-1-en-3-one.
Chemical Property Profile of 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv.
Property Insights of 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv.
The XLogP value of 3.9042 indicates that 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv. 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-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv.?
The CAS number of 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv. is 664302-86-7.
What is the molecular formula of 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv.?
The molecular formula of 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv. is C14H22O.
What is the molecular weight of 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv.?
The molecular weight of 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv. is 206.17 g/mol.
Where can I buy 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv.?
You can request a quote for 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv. 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-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv.?
Yes, KEHONG BIO provides custom synthesis services for 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, monomethyl deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.