3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane

C8H13F7O3Si — CID 52991970

IUPAC3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane
SMILESCO[Si](CCC(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChIInChI=1S/C8H13F7O3Si/c1-16-19(17-2,18-3)5-4-6(9,10)7(11,12)8(13,14)15/h4-5H2,1-3H3
InChIKeySIUOAIYCRNJMLQ-UHFFFAOYSA-N
MW318.26 g/mol
LogP3.09
Rot. Bonds7

About 3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane

3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane (PubChem CID 52991970) has the molecular formula C8H13F7O3Si and a molecular weight of 318.26 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane
PubChem CID52991970
Molecular FormulaC8H13F7O3Si
Molecular Weight318.26 g/mol
Exact Mass318.05
IUPAC Name3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane
SMILESCO[Si](CCC(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChIInChI=1S/C8H13F7O3Si/c1-16-19(17-2,18-3)5-4-6(9,10)7(11,12)8(13,14)15/h4-5H2,1-3H3
InChIKeySIUOAIYCRNJMLQ-UHFFFAOYSA-N
XLogP3.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Dimethoxymethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 2776323
Trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 2776334
Silane, (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)trimethoxy-
CID 2782918
((Perfluorobutyl)ethyl)trimethoxysilane
CID 15651659
3,3,3-Trifluoropropyl-trimethoxysilane
CID 67933
1H,1H,2H,2H-Perfluorododecyltrimethoxysilane
CID 15651658
Methoxydipropyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
CID 59112300
Methoxydimethyl(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane
CID 59112301
Methoxydimethyl(3,3,4,4,5,5,5-heptafluoropentyl)silane
CID 59112304
Diethylmethoxy(3,3,4,4,5,5,5-heptafluoropentyl)silane
CID 59112306
Methoxy (3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl) bis(3,3,3-trifluoropropyl) silane
CID 59112314
Diethylmethoxy(3,3,4,4,4-pentafluorobutyl)silane
CID 59112323

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane (CID 52991970) is 3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane is CO[Si](CCC(F)(F)C(F)(F)C(F)(F)F)(OC)OC.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane?
The InChIKey is SIUOAIYCRNJMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F7O3Si/c1-16-19(17-2,18-3)5-4-6(9,10)7(11,12)8(13,14)15/h4-5H2,1-3H3.
What are the key properties of 3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane?
3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane has a molecular weight of 318.26 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoropentyl(trimethoxy)silane is sourced from PubChem (CID 52991970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).