triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane

C14H17F15O3Si — CID 175108663

IUPACtriethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C14H17F15O3Si/c1-4-30-33(31-5-2,32-6-3)14(28,29)13(26,27)12(24,25)11(22,23)10(20,21)8(15,16)7-9(17,18)19/h4-7H2,1-3H3
InChIKeyXCZDEJJJBPJVNT-UHFFFAOYSA-N
MW546.34 g/mol
LogP6.34
Rot. Bonds13

About triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane

triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane (PubChem CID 175108663) has the molecular formula C14H17F15O3Si and a molecular weight of 546.34 g/mol. Its IUPAC name is triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane.

Molecular Properties

Compound Nametriethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane
PubChem CID175108663
Molecular FormulaC14H17F15O3Si
Molecular Weight546.34 g/mol
Exact Mass546.07
IUPAC Nametriethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane
SMILESCCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C14H17F15O3Si/c1-4-30-33(31-5-2,32-6-3)14(28,29)13(26,27)12(24,25)11(22,23)10(20,21)8(15,16)7-9(17,18)19/h4-7H2,1-3H3
InChIKeyXCZDEJJJBPJVNT-UHFFFAOYSA-N
XLogP6.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.34
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

triethoxysilane;triethoxy(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)silane
CID 159939837
diethoxy-ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)silane
CID 87247873
triethoxy(1,1,2,2,3,3,4,4,4-nonafluorobutyl)silane;triethoxy-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethyl]silane
CID 158351350
diethoxy-methyl-(4,4,5,5,6,6,7,7,8,8,11,11,11-tridecafluoro-2-methylundecan-2-yl)oxysilane
CID 175041903
triethoxy-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]silane
CID 23523578
chloro-ethoxy-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
CID 23523530
1,1,2,2,3,3,4,4,5,5-decafluorotetradecyl(trimethoxy)silane
CID 156901116
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
1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane
CID 59211713
ethoxy-tris(3,3,3-trifluoropropyl)silane
CID 3014011
triethoxy(2-triethoxysilylpropan-2-yl)silane
CID 18432084

Frequently Asked Questions

What is the IUPAC name of triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane?
The IUPAC name of triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane (CID 175108663) is triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane.
What is the SMILES notation for triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane?
The canonical SMILES for triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane is CCO[Si](OCC)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane?
The InChIKey is XCZDEJJJBPJVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F15O3Si/c1-4-30-33(31-5-2,32-6-3)14(28,29)13(26,27)12(24,25)11(22,23)10(20,21)8(15,16)7-9(17,18)19/h4-7H2,1-3H3.
What are the key properties of triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane?
triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane has a molecular weight of 546.34 g/mol, XLogP of 6.34, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)silane is sourced from PubChem (CID 175108663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).