I(2)-Ionylideneacetaldehyde
TL;DR: I(2)-Ionylideneacetaldehyde (CAS 56013-13-9) is a chemical compound with molecular formula C15H22O and molecular weight 218.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
Also Known As: I(2)-Ionylideneacetaldehyde, (7E,9Z)-beta-Ionylidene acetaldehyde, 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal, 2,4-Pentadienal,3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2Z,4E)-3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.16707 |
| Heavy Atoms | 16 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 56013-13-9 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(=CC=O)C |
| InChIKey | OPSSCPNCFKJCFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
I(2)-Ionylideneacetaldehyde (CAS 56013-13-9), with molecular formula C15H22O and molecular weight 218.17 g/mol. IUPAC: 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal.
Chemical Property Profile of I(2)-Ionylideneacetaldehyde
Property Insights of I(2)-Ionylideneacetaldehyde
The XLogP value of 4.3 indicates that I(2)-Ionylideneacetaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, I(2)-Ionylideneacetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, I(2)-Ionylideneacetaldehyde 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 I(2)-Ionylideneacetaldehyde?
The CAS number of I(2)-Ionylideneacetaldehyde is 56013-13-9.
What is the molecular formula of I(2)-Ionylideneacetaldehyde?
The molecular formula of I(2)-Ionylideneacetaldehyde is C15H22O.
What is the molecular weight of I(2)-Ionylideneacetaldehyde?
The molecular weight of I(2)-Ionylideneacetaldehyde is 218.17 g/mol.
Where can I buy I(2)-Ionylideneacetaldehyde?
You can request a quote for I(2)-Ionylideneacetaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I(2)-Ionylideneacetaldehyde?
Yes, KEHONG BIO provides custom synthesis services for I(2)-Ionylideneacetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.