![Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl- structure](/static/products/6011/60113-43-1.webp)
Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-
TL;DR: Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl- (CAS 60113-43-1) 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.
2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde
Also Known As: 3-formylpinane, 3-Formylpinene, (+)-3-formylpinane, (-)-3-formylpinane, 2,6,6-TRIMETHYLBICYCLO[3.1.1]HEPTANE-3-CARBALDEHYDE
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 60113-43-1 |
|---|---|
| SMILES | CC1C(CC2CC1C2(C)C)C=O |
| InChIKey | VUNCLQCPKWLBRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl- (CAS 60113-43-1), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 2,6,6-trimethylbicyclo[3.1.1]heptane-3-carbaldehyde.
Chemical Property Profile of Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-
Property Insights of Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl- 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 Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-?
The CAS number of Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl- is 60113-43-1.
What is the molecular formula of Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-?
The molecular formula of Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl- is C11H18O.
What is the molecular weight of Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-?
The molecular weight of Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl- is 166.14 g/mol.
Where can I buy Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-?
You can request a quote for Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.