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3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene
TL;DR: 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene (CAS 331956-01-5) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene
Also Known As: BAS 00671257, 9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene, 3-Isopropyl-9-methyl-2,4-dioxa-spiro[5.5]undec-8-ene, 3-isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene, 3-methyl-9-propan-2-yl-8,10-dioxaspiro[5.5]undec-3-ene
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 331956-01-5 |
|---|---|
| SMILES | CC1=CCC2(CC1)COC(OC2)C(C)C |
| InChIKey | OLWQBZRVFHTCMG-UHFFFAOYSA-N |
Product Overview
3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene (CAS 331956-01-5), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: 9-methyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene.
Chemical Property Profile of 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene
Property Insights of 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene. With a topological polar surface area (TPSA) of 18.5 Ų, 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene 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-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene?
The CAS number of 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene is 331956-01-5.
What is the molecular formula of 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene?
The molecular formula of 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene is C13H22O2.
What is the molecular weight of 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene?
The molecular weight of 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene is 210.16 g/mol.
Where can I buy 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene?
You can request a quote for 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.