methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane

C13H21F9OSi — CID 59112300

IUPACmethoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane
SMILESCCC[Si](CCC)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C13H21F9OSi/c1-4-7-24(23-3,8-5-2)9-6-10(14,15)11(16,17)12(18,19)13(20,21)22/h4-9H2,1-3H3
InChIKeyZVEHHWPNYCZVOL-UHFFFAOYSA-N
MW392.38 g/mol
LogP6.26
Rot. Bonds10

About methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane

methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane (PubChem CID 59112300) has the molecular formula C13H21F9OSi and a molecular weight of 392.38 g/mol. Its IUPAC name is methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane.

Molecular Properties

Compound Namemethoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane
PubChem CID59112300
Molecular FormulaC13H21F9OSi
Molecular Weight392.38 g/mol
Exact Mass392.12
IUPAC Namemethoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane
SMILESCCC[Si](CCC)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C13H21F9OSi/c1-4-7-24(23-3,8-5-2)9-6-10(14,15)11(16,17)12(18,19)13(20,21)22/h4-9H2,1-3H3
InChIKeyZVEHHWPNYCZVOL-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.38
LogP ≤ 56.26
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 methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane?
The IUPAC name of methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane (CID 59112300) is methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane.
What is the SMILES notation for methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane?
The canonical SMILES for methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane is CCC[Si](CCC)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC.
What is the InChIKey of methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane?
The InChIKey is ZVEHHWPNYCZVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F9OSi/c1-4-7-24(23-3,8-5-2)9-6-10(14,15)11(16,17)12(18,19)13(20,21)22/h4-9H2,1-3H3.
What are the key properties of methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane?
methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane has a molecular weight of 392.38 g/mol, XLogP of 6.26, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-dipropylsilane is sourced from PubChem (CID 59112300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).