trimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane

C9H13F9OSi — CID 18927764

IUPACtrimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane
SMILESC[Si](C)(C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F9OSi/c1-20(2,3)19-5-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h4-5H2,1-3H3
InChIKeyMHULASLPTMSKQF-UHFFFAOYSA-N
MW336.27 g/mol
LogP4.70
Rot. Bonds6

About trimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane

trimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane (PubChem CID 18927764) has the molecular formula C9H13F9OSi and a molecular weight of 336.27 g/mol. Its IUPAC name is trimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane.

Molecular Properties

Compound Nametrimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane
PubChem CID18927764
Molecular FormulaC9H13F9OSi
Molecular Weight336.27 g/mol
Exact Mass336.06
IUPAC Nametrimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane
SMILESC[Si](C)(C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F9OSi/c1-20(2,3)19-5-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h4-5H2,1-3H3
InChIKeyMHULASLPTMSKQF-UHFFFAOYSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.70
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 trimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane?
The IUPAC name of trimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane (CID 18927764) is trimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane.
What is the SMILES notation for trimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane?
The canonical SMILES for trimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane is C[Si](C)(C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of trimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane?
The InChIKey is MHULASLPTMSKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F9OSi/c1-20(2,3)19-5-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h4-5H2,1-3H3.
What are the key properties of trimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane?
trimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane has a molecular weight of 336.27 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane is sourced from PubChem (CID 18927764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).