beta-HOMOCYCLOCITRAL
TL;DR: beta-HOMOCYCLOCITRAL (CAS 472-66-2) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6,6-trimethylcyclohexen-1-yl)acetaldehyde
Also Known As: beta-Homocyclocitral, 2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde, beta-Cyclohomocitral, citropten, beta-Apo-8-carotenal
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 211.0 |
| Boiling Point | 58.00 to 59.00 °C. @ 760.40 mm Hg |
| Density | 0.873-0.885 (20°) |
| Solubility | Insoluble in water, soluble in fat |
| Refractive Index | 1.480-1.487 |
Chemical Identifiers
| CAS Number | 472-66-2 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)CC=O |
| InChIKey | VHTFHZGAMYUZEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-HOMOCYCLOCITRAL (CAS 472-66-2), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 2-(2,6,6-trimethylcyclohexen-1-yl)acetaldehyde.
Chemical Property Profile of beta-HOMOCYCLOCITRAL
Property Insights of beta-HOMOCYCLOCITRAL
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-HOMOCYCLOCITRAL. With a topological polar surface area (TPSA) of 17.1 Ų, beta-HOMOCYCLOCITRAL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-HOMOCYCLOCITRAL 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 beta-HOMOCYCLOCITRAL?
The CAS number of beta-HOMOCYCLOCITRAL is 472-66-2.
What is the molecular formula of beta-HOMOCYCLOCITRAL?
The molecular formula of beta-HOMOCYCLOCITRAL is C11H18O.
What is the molecular weight of beta-HOMOCYCLOCITRAL?
The molecular weight of beta-HOMOCYCLOCITRAL is 166.14 g/mol.
Where can I buy beta-HOMOCYCLOCITRAL?
You can request a quote for beta-HOMOCYCLOCITRAL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-HOMOCYCLOCITRAL?
Yes, KEHONG BIO provides custom synthesis services for beta-HOMOCYCLOCITRAL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.