CAS 1092536-54-3 manufacturers and suppliers on PharmaCompass

CAS 1092536-54-3

ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

Contact Supplier

Cohance Lifesciences, offers full range of CDMO services for small molecule APIs, intermediates, ADCs, Pellets and Formulations.

Contact Supplier

Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

Contact Supplier

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Contact Supplier

Fishfa Biogenics: Renowned Manufacturer, & Exporter of Tacrolimus & Mupirocin API.

Contact Supplier

pharmacompass-2-m-2025-11-03

Contact Supplier

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Click the button for full data set

Also known as: 1092536-54-3, {[(2,2-dimethylbut-3-yn-1-yl)oxy]methyl}benzene, 2,2-dimethylbut-3-ynoxymethylbenzene, (((2,2-dimethylbut-3-yn-1-yl)oxy)methyl)benzene, [[(2,2-dimethyl-3-butyn-1-yl)oxy]methyl]benzene, {[(2,2-dimethyl-3-butyn-1-yl)oxy]methyl}benzene

Molecular Formula

C₁₃H₁₆O

Molecular Weight

188.26 g/mol

InChI Key

VKHWQJGOWVVAHW-UHFFFAOYSA-N

CAS 1092536-54-3

1 2D Structure

CAS 1092536-54-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,2-dimethylbut-3-ynoxymethylbenzene

2.1.2 InChI

InChI=1S/C13H16O/c1-4-13(2,3)11-14-10-12-8-6-5-7-9-12/h1,5-9H,10-11H2,2-3H3

2.1.3 InChI Key

VKHWQJGOWVVAHW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(COCC1=CC=CC=C1)C#C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1092536-54-3

2. {[(2,2-dimethylbut-3-yn-1-yl)oxy]methyl}benzene

3. 2,2-dimethylbut-3-ynoxymethylbenzene

4. (((2,2-dimethylbut-3-yn-1-yl)oxy)methyl)benzene

5. [[(2,2-dimethyl-3-butyn-1-yl)oxy]methyl]benzene

6. {[(2,2-dimethyl-3-butyn-1-yl)oxy]methyl}benzene

7. Benzene, [[(2,2-dimethyl-3-butyn-1-yl)oxy]methyl]-

8. Schembl350845

9. Dtxsid201244295

10. Amy33807

11. Cs-m2008

12. Geo-04314

13. Mfcd23106327

14. Zinc95644217

15. Benzyl(2,2-dimethyl-3-butynyl) Ether

16. Pb37835

17. Sb10661

18. As-33815

19. ((2,2-dimethylbut-3-ynyloxy)methyl)benzene

20. ((2,2-dimethylbut-3-yn-1-yl)oxymethyl)benzene

21. Benzene,[[(2,2-dimethyl-3-butyn-1-yl)oxy]methyl]-

2.3 Create Date

2012-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₆O
Molecular Weight	188.26 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	188.120115130 g/mol
Monoisotopic Mass	188.120115130 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	203
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Market Place

Home

Menu

Post Enquiry

Market Place

Search