CAS 66722-57-4

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Chemistry

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Also known as: 66722-57-4, 2-((4-((2-isopropoxyethoxy)methyl)phenoxy)methyl)oxirane, 2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane, 2-[[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]methyl]oxirane, Oxirane, [[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]methyl]-, 2-[4-(2-isopropoxyethoxymethyl)phenoxymethyl]oxirane

Molecular Formula

C₁₅H₂₂O₄

Molecular Weight

266.33 g/mol

InChI Key

RTXODTOQINKROX-UHFFFAOYSA-N

1 2D Structure

CAS 66722-57-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane

2.1.2 InChI

InChI=1S/C15H22O4/c1-12(2)17-8-7-16-9-13-3-5-14(6-4-13)18-10-15-11-19-15/h3-6,12,15H,7-11H2,1-2H3

2.1.3 InChI Key

RTXODTOQINKROX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)OCCOCC1=CC=C(C=C1)OCC2CO2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 66722-57-4

2. 2-((4-((2-isopropoxyethoxy)methyl)phenoxy)methyl)oxirane

3. 2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane

4. 2-[[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]methyl]oxirane

5. Oxirane, [[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]methyl]-

6. 2-[4-(2-isopropoxyethoxymethyl)phenoxymethyl]oxirane

7. Schembl5317097

8. Dtxsid60568313

9. Bcp15724

10. Cs-m2979

11. Akos015900094

12. As-71095

13. Ft-0671767

14. 722m574

15. 1-(p-2-isopropoxyethoxymethylphenoxy)-2,3-epoxypropane

16. 1-[4-(2-isopropoxyethoxymethyl)phenoxy]-2,3-epoxypropane

17. 1-(2,3-epoxypropoxy)-4-[2-(isopropoxy)-ethoxymethyl]-benzene

18. 1-[4-((2-isopropoxyethoxy)methyl)phenoxy]-2,3-epoxypropane

19. 2-[(4-{[2-(propan-2-yloxy)ethoxy]methyl}phenoxy)methyl]oxirane

20. 2-[[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]methyl]-oxirane

21. 2-{[4-({2-[(propan-2-yl)oxy]ethoxy}methyl)phenoxy]methyl}oxirane

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₂O₄
Molecular Weight	266.33 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	266.15180918 g/mol
Monoisotopic Mass	266.15180918 g/mol
Topological Polar Surface Area	40.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	236
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1