Acrolein, 2-neopentyl-
TL;DR: Acrolein, 2-neopentyl- (CAS 5375-28-0) is a chemical compound with molecular formula C8H14O and molecular weight 126.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2-methylidenepentanal
Also Known As: a-neopentyl acrolein, 2-Neopentyl-acrolein, 2-Neopentylacrolein., Acrolein, 2-neopentyl-, 2-Neopentylacrylaldehyde #
| Molecular Formula | C8H14O |
|---|---|
| Molecular Weight | 126.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.10446 |
| Heavy Atoms | 9 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 5375-28-0 |
|---|---|
| SMILES | CC(C)(C)CC(=C)C=O |
| InChIKey | UVKQJLFYTPXCCD-UHFFFAOYSA-N |
Product Overview
Acrolein, 2-neopentyl- (CAS 5375-28-0), with molecular formula C8H14O and molecular weight 126.10 g/mol. IUPAC: 4,4-dimethyl-2-methylidenepentanal.
Chemical Property Profile of Acrolein, 2-neopentyl-
Property Insights of Acrolein, 2-neopentyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acrolein, 2-neopentyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Acrolein, 2-neopentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acrolein, 2-neopentyl- 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 Acrolein, 2-neopentyl-?
The CAS number of Acrolein, 2-neopentyl- is 5375-28-0.
What is the molecular formula of Acrolein, 2-neopentyl-?
The molecular formula of Acrolein, 2-neopentyl- is C8H14O.
What is the molecular weight of Acrolein, 2-neopentyl-?
The molecular weight of Acrolein, 2-neopentyl- is 126.10 g/mol.
Where can I buy Acrolein, 2-neopentyl-?
You can request a quote for Acrolein, 2-neopentyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acrolein, 2-neopentyl-?
Yes, KEHONG BIO provides custom synthesis services for Acrolein, 2-neopentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.