3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane

C8H13F7OSi — CID 59112304

IUPAC3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane
SMILESCO[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F7OSi/c1-16-17(2,3)5-4-6(9,10)7(11,12)8(13,14)15/h4-5H2,1-3H3
InChIKeyUDADITZQUBTFAY-UHFFFAOYSA-N
MW286.26 g/mol
LogP4.06
Rot. Bonds5

About 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane

3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane (PubChem CID 59112304) has the molecular formula C8H13F7OSi and a molecular weight of 286.26 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane
PubChem CID59112304
Molecular FormulaC8H13F7OSi
Molecular Weight286.26 g/mol
Exact Mass286.06
IUPAC Name3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane
SMILESCO[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H13F7OSi/c1-16-17(2,3)5-4-6(9,10)7(11,12)8(13,14)15/h4-5H2,1-3H3
InChIKeyUDADITZQUBTFAY-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane (CID 59112304) is 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane is CO[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane?
The InChIKey is UDADITZQUBTFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F7OSi/c1-16-17(2,3)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-methoxy-dimethylsilane?
3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane has a molecular weight of 286.26 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dimethylsilane is sourced from PubChem (CID 59112304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).