6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one
TL;DR: 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one (CAS 69486-14-2) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecan-4-one
Also Known As: 5,8-Methano-2H-1-benzopyran-2-one, 6-ethylideneoctahydro-, 5,8-Methano-2H-1-benzopyran-2-one,6-ethylideneoctahydro-, 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one, 9-Ethylidene-3-oxatricyclo(6.2.1.02,7)undecane-4-one, 9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecan-4-one
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 69486-14-2 |
|---|---|
| SMILES | CC=C1CC2CC1C3C2OC(=O)CC3 |
| InChIKey | LLVFKEOMLYDSGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one (CAS 69486-14-2), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecan-4-one.
Chemical Property Profile of 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one
Property Insights of 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one has 0 hydrogen bond donor(s) and 2 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 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one?
The CAS number of 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one is 69486-14-2.
What is the molecular formula of 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one?
The molecular formula of 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one is C12H16O2.
What is the molecular weight of 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one?
The molecular weight of 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one is 192.12 g/mol.
Where can I buy 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one?
You can request a quote for 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethylideneoctahydro-2H-5,8-methanochromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.