CAS 17312-68-4 | Undecane, 4,4-dimethyl- | CAS Number 17312-68-4

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17312-68-4 | Undecane, 4,4-dimethyl-

CAS No: 17312-68-4 Catalog No: AG001YNA MDL No:

Product Description

Catalog Number:

AG001YNA

Chemical Name:

Undecane, 4,4-dimethyl-

CAS Number:

17312-68-4

Molecular Formula:

C13H28

Molecular Weight:

184.3614

IUPAC Name:

4,4-dimethylundecane

InChI:

InChI=1S/C13H28/c1-5-7-8-9-10-12-13(3,4)11-6-2/h5-12H2,1-4H3

InChI Key:

BXVZPIGCIFJGEI-UHFFFAOYSA-N

SMILES:

CCCCCCCC(CCC)(C)C

Properties

Complexity:

103

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

184.219g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

184.367g/mol

Monoisotopic Mass:

184.219g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.8

Literature

Title	Journal
Effect of influenza vaccination on oxidative stress products in breath.	Journal of breath research 20100601
The production of myco-diesel hydrocarbons and their derivatives by the endophytic fungus Gliocladium roseum (NRRL 50072).	Microbiology (Reading, England) 20081101