Home > Compound List > Compound details
307531-89-1 molecular structure
click picture or here to close

1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluorotricyclo[7.3.3.15,11]heptasiloxane

ChemBase ID: 151294
Molecular Formular: C35H63F3O9Si7
Molecular Mass: 881.4630296
Monoisotopic Mass: 880.28090398
SMILES and InChIs

SMILES:
C1CCC(C1)[Si]12O[Si]3(O[Si](O[Si](O1)(O[Si](O[Si](O2)(O[Si](O3)(C1CCCC1)F)C1CCCC1)(C1CCCC1)F)C1CCCC1)(C1CCCC1)F)C1CCCC1
Canonical SMILES:
F[Si]1(O[Si]2(O[Si]3(O[Si](O1)(O[Si](F)(O[Si](O3)(O[Si](O2)(F)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1)C1CCCC1
InChI:
InChI=1S/C35H63F3O9Si7/c36-48(29-15-1-2-16-29)39-51(32-21-7-8-22-32)41-49(37,30-17-3-4-18-30)43-53(34-25-11-12-26-34)44-50(38,31-19-5-6-20-31)42-52(40-48,33-23-9-10-24-33)46-54(45-51,47-53)35-27-13-14-28-35/h29-35H,1-28H2
InChIKey:
MHANYKIZQPHDKI-UHFFFAOYSA-N

Cite this record

CBID:151294 http://www.chembase.cn/molecule-151294.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluorotricyclo[7.3.3.15,11]heptasiloxane
IUPAC Traditional name
1,3,5,7,9,11,14-heptacyclopentyl-3,7,14-trifluorotricyclo[7.3.3.15,11]heptasiloxane
Synonyms
Trifluoro-POSS®
endo-3,7,14-Trifluoro-1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.15,11]heptasiloxane
三氟-POSS®
内-3,7,14-三氟-1,3,5,7,9,11,14-七环戊基三环[7.3.3.15,11]七硅氧烷
CAS Number
307531-89-1
MDL Number
MFCD02683449
PubChem SID
162245450
24878037
PubChem CID
3644633

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
534439 external link Add to cart Please log in.
Data Source Data ID
PubChem 3644633 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 11.7612  LogD (pH = 7.4) 11.7612 
Log P 11.7612  Molar Refractivity 170.5584 cm3
Polarizability 84.16694 Å3 Polar Surface Area 83.07 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
98-106 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Empirical Formula (Hill Notation)
C35H63F3O9Si7 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 534439 external link
Packaging
1, 5 g in glass bottle
Legal Information
POSS is a registered trademark of Hybrid Plastics, Inc.

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