1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one
TL;DR: 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one (CAS 23665-58-9) is a chemical compound with molecular formula C14H20O and molecular weight 204.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,6a-trimethyl-1a,2,5,6,7,7a-hexahydrocyclopropa[b]naphthalen-4-one
Also Known As: TMTCU, iodure de phenylzinc, 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one, 1,1,6a-trimethyl-1a,2,5,6,7,7a-hexahydrocyclopropa[b]naphthalen-4-one, 1,4,4-trimethyltricyclo(5.4.0.0 undec-7-en-9-one
| Molecular Formula | C14H20O |
|---|---|
| Molecular Weight | 204.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.15141 |
| Heavy Atoms | 15 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 23665-58-9 |
|---|---|
| SMILES | CC1(C2C1CC3(CCC(=O)C=C3C2)C)C |
| InChIKey | LWVWPPJYFRRTPR-UHFFFAOYSA-N |
Product Overview
1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one (CAS 23665-58-9), with molecular formula C14H20O and molecular weight 204.15 g/mol. IUPAC: 1,1,6a-trimethyl-1a,2,5,6,7,7a-hexahydrocyclopropa[b]naphthalen-4-one.
Chemical Property Profile of 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one
Property Insights of 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one 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 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one?
The CAS number of 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one is 23665-58-9.
What is the molecular formula of 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one?
The molecular formula of 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one is C14H20O.
What is the molecular weight of 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one?
The molecular weight of 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one is 204.15 g/mol.
Where can I buy 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one?
You can request a quote for 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4,4-Trimethyltricyclo(5.4.0.0(3,5))undec-7-en-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.