Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl-
TL;DR: Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl- (CAS 56055-61-9) 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.
1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one
Also Known As: 2-(4-Methyl-pentene-3-one-2-yl)-1,3-dioxolane, Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl-, 1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one, 5-(1,3-Dioxolan-2-yl)-2-methylpent-2-en-4-one, 4-Methyl-1-(1,3-dioxolan-2-yl)-3-penten-2-one
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.2847 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 185.95033 |
Chemical Identifiers
| CAS Number | 56055-61-9 |
|---|---|
| SMILES | CC(=CC(=O)CC1OCCO1)C |
Product Overview
Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl- (CAS 56055-61-9), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: 1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-one.
Chemical Property Profile of Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl-
Property Insights of Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl-
The XLogP value of 1.2847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl-. With a topological polar surface area (TPSA) of 35.53 Ų, Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-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 Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl-?
The CAS number of Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl- is 56055-61-9.
What is the molecular formula of Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl-?
The molecular formula of Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl- is C9H14O3.
What is the molecular weight of Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl-?
The molecular weight of Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl- is 170.09 g/mol.
Where can I buy Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl-?
You can request a quote for Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pent-2-en-4-one, 5-(1,3-dioxolan-2-yl)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.