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CHEMISTRY
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Synopsis

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Chemistry

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Also known as: Polybutenes, 9003-29-6, But-1-ene;(e)-but-2-ene, 119275-53-5, 1-butene,polymerwith2-buteneand2-methyl-1-propene,ep., 1-butene 2-butene

Molecular Formula

C₈H₁₆

Molecular Weight

112.21 g/mol

InChI Key

WTOOLIQYCQJDBG-BJILWQEISA-N

1 2D Structure

Polybutene

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

but-1-ene;(E)-but-2-ene

2.1.2 InChI

InChI=1S/2C4H8/c2*1-3-4-2/h3-4H,1-2H3;3H,1,4H2,2H3/b4-3+;

2.1.3 InChI Key

WTOOLIQYCQJDBG-BJILWQEISA-N

2.1.4 Canonical SMILES

CCC=C.CC=CC

2.1.5 Isomeric SMILES

CCC=C.C/C=C/C

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Polybutylene

2.2.2 Depositor-Supplied Synonyms

1. Polybutenes

2. 9003-29-6

3. But-1-ene;(e)-but-2-ene

4. 119275-53-5

5. 1-butene,polymerwith2-buteneand2-methyl-1-propene,ep.

6. 1-butene 2-butene

7. Indopol H-100

8. Hsdb 5127

9. (2e)-but-2-ene; But-1-ene

10. Einecs 246-689-3

11. 1-butene, Polymer With 2-butene And 2-methyl-1-propene, Epoxidized

12. Un1012

13. Akos015915750

14. Butylene [un1012] [flammable Gas]

15. Ec 246-689-3

16. Polybutenes, Average Mn ~320, Isobutylene >90 %

17. Polybutenes, Average Mn ~460 By Vpo, Isobutylene >90 %

18. Polybutenes, Average Mn ~560 By Vpo, Isobutylene >90 %

19. Polybutenes, Average Mn ~920 By Vpo, Isobutylene >90 %

20. Polybutenes, Average Mn ~1,290 By Vpo, >90% In Isobutylene

21. Polybutenes, Average Mn ~2,300 By Vpo, Isobutylene >90 %

2.3 Create Date

2006-04-28

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₆
Molecular Weight	112.21 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	112.125200510 g/mol
Monoisotopic Mass	112.125200510 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	29.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2