3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl-
TL;DR: 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl- (CAS 54221-01-1) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-hydroxy-3-methylbutyl)-3-methylcyclohex-3-ene-1-carbaldehyde
Also Known As: 1-Formyl-3-methyl-5-(3-methyl-3-hydroxybutyl)-3-cyclohexene, 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl-, 5-(3-hydroxy-3-methylbutyl)-3-methylcyclohex-3-ene-1-carbaldehyde, 5-(3-Hydroxy-3-methylbutyl)-3-methyl-3-cyclohexene-1-carbaldehyde, RefChem:500743
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 54221-01-1 |
|---|---|
| SMILES | CC1=CC(CC(C1)C=O)CCC(C)(C)O |
| InChIKey | SEUIEHGGUUGHEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl- (CAS 54221-01-1), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: 5-(3-hydroxy-3-methylbutyl)-3-methylcyclohex-3-ene-1-carbaldehyde.
Chemical Property Profile of 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl-
Property Insights of 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl- 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, 5-(3-hydroxy-3-methylbutyl)-3-methyl-?
The CAS number of 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl- is 54221-01-1.
What is the molecular formula of 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl-?
The molecular formula of 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl- is C13H22O2.
What is the molecular weight of 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl-?
The molecular weight of 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl- is 210.16 g/mol.
Where can I buy 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl-?
You can request a quote for 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl- 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, 5-(3-hydroxy-3-methylbutyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexene-1-carboxaldehyde, 5-(3-hydroxy-3-methylbutyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.