(Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

C11H15F9O2Si — CID 138396238

IUPAC—
SMILESCCOC(OCC)[Si]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F9O2Si/c1-3-21-7(22-4-2)23-6-5-8(12,13)9(14,15)10(16,17)11(18,19)20/h7H,3-6H2,1-2H3
InChIKeyOIHXVGMPTVHIGR-UHFFFAOYSA-N
MW378.31 g/mol
LogP4.32
Rot. Bonds10

About (Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

(Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane (PubChem CID 138396238) has the molecular formula C11H15F9O2Si and a molecular weight of 378.31 g/mol.

Molecular Properties

Compound Name(Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
PubChem CID138396238
Molecular FormulaC11H15F9O2Si
Molecular Weight378.31 g/mol
Exact Mass378.07
IUPAC Name—
SMILESCCOC(OCC)[Si]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F9O2Si/c1-3-21-7(22-4-2)23-6-5-8(12,13)9(14,15)10(16,17)11(18,19)20/h7H,3-6H2,1-2H3
InChIKeyOIHXVGMPTVHIGR-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

12-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
CID 58954528
triethyl(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)silane
CID 132934764
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-methylbutanoate
CID 20727687
11,11-diethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodoundecane
CID 10747062
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-9,11-dimethyl-9-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluoro-2,4-dimethyldodecan-4-yl)oxydodecane
CID 87932263
1,1,1,2,2,3,3,4,4-nonafluorooctane
CID 22002951
10,10-diethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 57224801
mercaptopropyldiethoxymethylsilane
CID 53425327
triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)silane
CID 171316019
triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
CID 159728593
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorotetradecane
CID 22002799
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 163325065

Frequently Asked Questions

What is the IUPAC name of (Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The IUPAC name of (Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane (CID 138396238) is not available.
What is the SMILES notation for (Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The canonical SMILES for (Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane is CCOC(OCC)[Si]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The InChIKey is OIHXVGMPTVHIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F9O2Si/c1-3-21-7(22-4-2)23-6-5-8(12,13)9(14,15)10(16,17)11(18,19)20/h7H,3-6H2,1-2H3.
What are the key properties of (Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
(Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane has a molecular weight of 378.31 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Diethoxymethyl)(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane is sourced from PubChem (CID 138396238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).