CAS 85857-16-5|11-(Perfluoro-n-octyl)undec-10-en-1-ol|(10E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol|(10E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19...

General Information

Structure

Molecular Formula

C₁₉H₂₁F₁₇O

Molecular Mass

588.3422944

Exact Mass

588.13209503

Charge

InChI

InChI=1S/C19H21F17O/c20-12(21,10-8-6-4-2-1-3-5-7-9-11-37)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h8,10,37H,1-7,9,11H2/b10-8+

InChIKey

MUCVGEGAZDOIDJ-CSKARUKUSA-N

Canonic Smiles

OCCCCCCCCC/C=C/C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric Smiles

C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(C(/C=C/CCCCCCCCCO)(F)F)(F)F)(F)F)(F)F)(F)F

Calculated Properties

JChem

Acid pKa

16.843943

H Acceptors

H Donor

LogD (pH = 5.5)

9.268876

LogD (pH = 7.4)

9.268876

Log P

9.268876

Molar Refractivity

93.668

Polarizability

34.517174

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

11-(Perfluoro-n-octyl)undec-10-en-1-ol11-(Perfluoro-n-octyl)undec-10-en-1-ol 97%

IUPAC Traditional name

(10E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol

IUPAC name

(10E)-12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol 12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-10-en-1-ol

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

Registration numbers