triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane

C18H25F15O3SSi — CID 175239862

IUPACtriethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane
SMILESCCO[Si](CCSC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)F)(OCC)OCC
InChIInChI=1S/C18H25F15O3SSi/c1-4-34-38(35-5-2,36-6-3)8-7-37-14(25)16(28,29)18(32,33)17(30,31)15(26,27)12(22)10(20)9(19)11(21)13(23)24/h9-14H,4-8H2,1-3H3
InChIKeyAQVNZYRHQUWMQX-UHFFFAOYSA-N
MW634.52 g/mol
LogP7.22
Rot. Bonds19

About triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane

triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane (PubChem CID 175239862) has the molecular formula C18H25F15O3SSi and a molecular weight of 634.52 g/mol. Its IUPAC name is triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane
PubChem CID175239862
Molecular FormulaC18H25F15O3SSi
Molecular Weight634.52 g/mol
Exact Mass634.11
IUPAC Nametriethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane
SMILESCCO[Si](CCSC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)F)(OCC)OCC
InChIInChI=1S/C18H25F15O3SSi/c1-4-34-38(35-5-2,36-6-3)8-7-37-14(25)16(28,29)18(32,33)17(30,31)15(26,27)12(22)10(20)9(19)11(21)13(23)24/h9-14H,4-8H2,1-3H3
InChIKeyAQVNZYRHQUWMQX-UHFFFAOYSA-N
XLogP7.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.52
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,5,5,6,6,7,7,8,8,9,10,11,12,12-pentadecafluoro-1-triethoxysilyldodecane-3-thiol
CID 87421934
azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane
CID 174929284
1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane
CID 18504293
triethoxy(3,3,4,4,5,5,6-heptafluorodecyl)silane
CID 87687604
1,1,1,3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-icosafluoropentadecan-2-yl(trimethoxy)silane
CID 175026560
triethoxy(2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-octadecafluorodecyl)silane
CID 21254451
3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-heptadecafluoropentadecan-2-yloxysilane
CID 175447972
2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-pentadecafluoro-2-(2-trimethoxysilylethyl)decanethioic S-acid
CID 175379697
1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate;tetraethylazanium
CID 134207049
CID 22221751
CID 22221751
fluoro 2,2,3,3,4,4,5,5,6,7,8,9,10,11,11-pentadecafluoroundecanoate
CID 174997199
2-(2-triethoxysilylethylsulfanyl)ethanethiol
CID 13068518

Frequently Asked Questions

What is the IUPAC name of triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane?
The IUPAC name of triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane (CID 175239862) is triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane.
What is the SMILES notation for triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane?
The canonical SMILES for triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane is CCO[Si](CCSC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)C(F)C(F)F)(OCC)OCC.
What is the InChIKey of triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane?
The InChIKey is AQVNZYRHQUWMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F15O3SSi/c1-4-34-38(35-5-2,36-6-3)8-7-37-14(25)16(28,29)18(32,33)17(30,31)15(26,27)12(22)10(20)9(19)11(21)13(23)24/h9-14H,4-8H2,1-3H3.
What are the key properties of triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane?
triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane has a molecular weight of 634.52 g/mol, XLogP of 7.22, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane is sourced from PubChem (CID 175239862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).