ethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

C12H15F13OSi — CID 18448867

IUPACethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCCO[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F13OSi/c1-4-26-27(2,3)6-5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h4-6H2,1-3H3
InChIKeyBHZKUWSVCBPCJY-UHFFFAOYSA-N
MW450.31 g/mol
LogP6.36
Rot. Bonds9

About ethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

ethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (PubChem CID 18448867) has the molecular formula C12H15F13OSi and a molecular weight of 450.31 g/mol. Its IUPAC name is ethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.

Molecular Properties

Compound Nameethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
PubChem CID18448867
Molecular FormulaC12H15F13OSi
Molecular Weight450.31 g/mol
Exact Mass450.07
IUPAC Nameethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCCO[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H15F13OSi/c1-4-26-27(2,3)6-5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h4-6H2,1-3H3
InChIKeyBHZKUWSVCBPCJY-UHFFFAOYSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.31
LogP ≤ 56.36
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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Related Compounds

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyltriethoxysilan
CID 103991
1H,1H,2H,2H-Perfluorodecyltriethoxysilane
CID 145374
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, triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecyl)-
CID 2782916
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 2782917
Silane, (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)trimethoxy-
CID 2782918
Methoxydimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 3024106
Silane, triethoxy(heptadecafluorooctyl)-
CID 11657151
1H,1H,2H,2H-Perfluorododecyltrimethoxysilane
CID 15651658
Diethoxy(2-(perfluorooctyl)-1-ethyl)methylsilane
CID 15806690
Triethoxy(henicosafluorodecyl)silane
CID 21879873

Frequently Asked Questions

What is the IUPAC name of ethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The IUPAC name of ethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (CID 18448867) is ethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.
What is the SMILES notation for ethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The canonical SMILES for ethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is CCO[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The InChIKey is BHZKUWSVCBPCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F13OSi/c1-4-26-27(2,3)6-5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h4-6H2,1-3H3.
What are the key properties of ethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
ethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane has a molecular weight of 450.31 g/mol, XLogP of 6.36, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is sourced from PubChem (CID 18448867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).