4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone
TL;DR: 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone (CAS 120587-87-3) is a chemical compound with molecular formula C12H20OSi and molecular weight 208.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylidene-5-trimethylsilyl-2,3,3a,5,6,6a-hexahydropentalen-1-one
Also Known As: 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone, 2-Chloro-4-nitrophenyl-, A-D-lactoside, 4-methylidene-5-trimethylsilyl-2,3,3a,5,6,6a-hexahydropentalen-1-one, 1(2H)-Pentalenone,hexahydro-4-methylene-5-(trimethylsilyl)-
| Molecular Formula | C12H20OSi |
|---|---|
| Molecular Weight | 208.13 g/mol |
| LogP | 3.25 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.12834 |
| Heavy Atoms | 14 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 120587-87-3 |
|---|---|
| SMILES | C[Si](C)(C)C1CC2C(C1=C)CCC2=O |
| InChIKey | BICWMCJZJPTYSN-UHFFFAOYSA-N |
Product Overview
4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone (CAS 120587-87-3), with molecular formula C12H20OSi and molecular weight 208.13 g/mol. IUPAC: 4-methylidene-5-trimethylsilyl-2,3,3a,5,6,6a-hexahydropentalen-1-one.
Chemical Property Profile of 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone
Property Insights of 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone
The XLogP value of 3.25 indicates that 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone 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 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone?
The CAS number of 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone is 120587-87-3.
What is the molecular formula of 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone?
The molecular formula of 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone is C12H20OSi.
What is the molecular weight of 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone?
The molecular weight of 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone is 208.13 g/mol.
Where can I buy 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone?
You can request a quote for 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylene-5-(trimethylsilyl)hexahydro-1(2H)-pentalenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.