5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)-
TL;DR: 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)- (CAS 105661-38-9) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-6-oxohex-1-en-3-yl) acetate
Also Known As: (3-methyl-6-oxohex-1-en-3-yl) acetate, 1-Methyl-1-(3-oxopropyl)-2-propenyl acetate, 5-Hexenal, 4-(acetyloxy)-4-methyl-, (R)-, 1-Methyl-1-(3-oxopropyl)-2-propenyl acetate #, 5-Hexenal, 4-(acetyloxy)-4-methyl-, (.+/-.)-
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 105661-38-9 |
|---|---|
| SMILES | CC(=O)OC(C)(CCC=O)C=C |
| InChIKey | XMMGLIMEHNSBSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)- (CAS 105661-38-9), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: (3-methyl-6-oxohex-1-en-3-yl) acetate.
Chemical Property Profile of 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)-
Property Insights of 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)-. With a topological polar surface area (TPSA) of 43.4 Ų, 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)- has 0 hydrogen bond donor(s) and 3 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 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)-?
The CAS number of 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)- is 105661-38-9.
What is the molecular formula of 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)-?
The molecular formula of 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)- is C9H14O3.
What is the molecular weight of 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)-?
The molecular weight of 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)- is 170.09 g/mol.
Where can I buy 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)-?
You can request a quote for 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)-?
Yes, KEHONG BIO provides custom synthesis services for 5-Hexenal, 4-(acetyloxy)-4-methyl-, (+/-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.