Home > Compound List > Compound details
85857-16-5 molecular structure
click picture or here to close

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

ChemBase ID: 12103
Molecular Formular: C19H21F17O
Molecular Mass: 588.3422944
Monoisotopic Mass: 588.13209503
SMILES and InChIs

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
Canonical 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
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

Cite this record

CBID:12103 http://www.chembase.cn/molecule-12103.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
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
Synonyms
11-(Perfluoro-n-octyl)undec-10-en-1-ol
11-(Perfluoro-n-octyl)undec-10-en-1-ol 97%
CAS Number
85857-16-5
MDL Number
MFCD00236713
PubChem SID
160975410
PubChem CID
5708700

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5708700 external link

CALCULATED PROPERTIES

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 cm3 Polarizability 34.517174 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds 17 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
157°C/3mm expand Show data source
Density
1.417 expand Show data source
Refractive Index
1.37 expand Show data source
1.370 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle