![(1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane structure](/static/products/9369/936-91-4.webp)
(1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane
TL;DR: (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane (CAS 936-91-4) 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,3S,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane
Also Known As: trans-3,4-Epoxycarane, (+)-trans-3,4-Epoxycarane, KST-1A9272, (1s,3s,5r,7r)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane, (1S,3S,4R,6R)-3,4-Epoxycarane
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.1 |
| 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 | 221.0 |
Chemical Identifiers
| CAS Number | 936-91-4 |
|---|---|
| SMILES | C[C@]12C[C@H]3[C@H](C3(C)C)C[C@H]1O2 |
| InChIKey | AGHSZSJVJPSERC-JIOCBJNQSA-N |
Product Overview
(1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane (CAS 936-91-4), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: (1S,3S,5R,7R)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane.
Chemical Property Profile of (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane
Property Insights of (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane. With a topological polar surface area (TPSA) of 12.5 Ų, (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane 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 (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane?
The CAS number of (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane is 936-91-4.
What is the molecular formula of (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane?
The molecular formula of (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane is C10H16O.
What is the molecular weight of (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane?
The molecular weight of (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane is 152.12 g/mol.
Where can I buy (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane?
You can request a quote for (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane?
Yes, KEHONG BIO provides custom synthesis services for (1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.