EINECS 249-585-6
TL;DR: EINECS 249-585-6 (CAS 29362-74-1) 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.
5,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
Also Known As: 5,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane, 5,7,7-Trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octane, (1R-(1alpha,2beta,4beta,5alpha,6alpha))-5,7,7-Trimethyl-3-oxatricyclo(4.1.1.02,4)octane, [1R-(1alpha,2beta,4beta,5alpha,6alpha)]-5,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane, 3-Oxatricyclo[4.1.1.02,4]octane,5,7,7-trimethyl-, [1R-(1a,2b,4b,5b,6a)]- (9CI)
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 29362-74-1 |
|---|---|
| SMILES | CC1C2CC(C2(C)C)C3C1O3 |
| InChIKey | GTLIZHGJEKYQFS-UHFFFAOYSA-N |
Product Overview
EINECS 249-585-6 (CAS 29362-74-1), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: 5,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane.
Chemical Property Profile of EINECS 249-585-6
Property Insights of EINECS 249-585-6
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 249-585-6. With a topological polar surface area (TPSA) of 12.5 Ų, EINECS 249-585-6 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 249-585-6 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 EINECS 249-585-6?
The CAS number of EINECS 249-585-6 is 29362-74-1.
What is the molecular formula of EINECS 249-585-6?
The molecular formula of EINECS 249-585-6 is C10H16O.
What is the molecular weight of EINECS 249-585-6?
The molecular weight of EINECS 249-585-6 is 152.12 g/mol.
Where can I buy EINECS 249-585-6?
You can request a quote for EINECS 249-585-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 249-585-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 249-585-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.