1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)-
TL;DR: 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)- (CAS 5535-87-5) is a chemical compound with molecular formula C14H14O2 and molecular weight 214.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene
Also Known As: BOHLMANN K4087, Benzoic acid,1-methylpropyl ester, NCI60_002549, 1,6-Dioxaspiro[4.5]dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)-, 2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene
| Molecular Formula | C14H14O2 |
|---|---|
| Molecular Weight | 214.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.09938 |
| Heavy Atoms | 16 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 5535-87-5 |
|---|---|
| SMILES | CC#CC#CC=C1C=CC2(O1)CCCCO2 |
| InChIKey | RNEORCMLRJNFGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)- (CAS 5535-87-5), with molecular formula C14H14O2 and molecular weight 214.10 g/mol. IUPAC: 2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-ene.
Chemical Property Profile of 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)-
Property Insights of 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)- 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 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)-?
The CAS number of 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)- is 5535-87-5.
What is the molecular formula of 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)-?
The molecular formula of 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)- is C14H14O2.
What is the molecular weight of 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)-?
The molecular weight of 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)- is 214.10 g/mol.
Where can I buy 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)-?
You can request a quote for 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Dioxaspiro(4.5)dec-3-ene, 2-(2,4-hexadiynylidene)-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.