(1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde
TL;DR: (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde (CAS 49751-82-8) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,5S)-6,6-dimethylbicyclo[3.1.1]heptane-2-carbaldehyde
Also Known As: Myrtanal, (+)-trans-Myrtanal, EINECS 256-466-2, (1S,2S,5S)-Pina-10-one, (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.2576 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 181.3118 |
Chemical Identifiers
| CAS Number | 49751-82-8 |
|---|---|
| SMILES | CC1([C@H]2CC[C@@H]([C@@H]1C2)C=O)C |
Product Overview
(1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde (CAS 49751-82-8), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: (1S,2S,5S)-6,6-dimethylbicyclo[3.1.1]heptane-2-carbaldehyde.
Chemical Property Profile of (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde
Property Insights of (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde
The XLogP value of 2.2576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde. With a topological polar surface area (TPSA) of 17.07 Ų, (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde 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 (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde?
The CAS number of (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde is 49751-82-8.
What is the molecular formula of (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde?
The molecular formula of (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde is C10H16O.
What is the molecular weight of (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde?
The molecular weight of (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde is 152.12 g/mol.
Where can I buy (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde?
You can request a quote for (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for (1alpha,2beta,5alpha)-6,6-Dimethylbicyclo(3.1.1)heptane-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.