![3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one structure](/static/products/6413/64130-76-3.webp)
3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one
TL;DR: 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one (CAS 64130-76-3) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylidene-3-oxatricyclo[4.4.0.02,8]decan-4-one
Also Known As: 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one, 4,7-Methanocyclopenta[b]pyran-2(3H)-one,hexahydro-3-methylene, 4,7-Methanocyclopenta[b]pyran-2(3H)-one, hexahydro-3-methylene-
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 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 | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 64130-76-3 |
|---|---|
| SMILES | C=C1C2CC3CCC2C3OC1=O |
| InChIKey | JNEUADVYZPCHCR-UHFFFAOYSA-N |
Product Overview
3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one (CAS 64130-76-3), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 5-methylidene-3-oxatricyclo[4.4.0.02,8]decan-4-one.
Chemical Property Profile of 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one
Property Insights of 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-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 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one?
The CAS number of 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one is 64130-76-3.
What is the molecular formula of 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one?
The molecular formula of 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one is C10H12O2.
What is the molecular weight of 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one?
The molecular weight of 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one is 164.08 g/mol.
Where can I buy 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one?
You can request a quote for 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylidenehexahydro-4,7-methanocyclopenta[b]pyran-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.