3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)-
TL;DR: 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)- (CAS 72939-53-8) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxy-2-methylpropylidene)cyclohex-3-ene-1-carbaldehyde
Also Known As: 2-(2-Hydroxy-2-methylpropylidene)cyclohex-3-ene-1-carbaldehyde, 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)-, 2-(2-Methyl-2-hydroxypropylidene)-3-cyclohexene-1-carboxaldehyde, 3-Cyclohexene-1-carboxaldehyde,2-(2-hydroxy-2-methylpropylidene)-, EINECS 277-107-6
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 72939-53-8 |
|---|---|
| SMILES | CC(C)(C=C1C=CCCC1C=O)O |
| InChIKey | GWKHZXGRPBDDKT-UHFFFAOYSA-N |
Product Overview
3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)- (CAS 72939-53-8), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 2-(2-hydroxy-2-methylpropylidene)cyclohex-3-ene-1-carbaldehyde.
Chemical Property Profile of 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)-
Property Insights of 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)-. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)- has 1 hydrogen bond donor(s) and 2 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-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)-?
The CAS number of 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)- is 72939-53-8.
What is the molecular formula of 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)-?
The molecular formula of 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)- is C11H16O2.
What is the molecular weight of 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)-?
The molecular weight of 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)- is 180.12 g/mol.
Where can I buy 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)-?
You can request a quote for 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexene-1-carboxaldehyde, 2-(2-hydroxy-2-methylpropylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.