triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane

C25H37F17O3Si — CID 138375957

IUPACtriethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane
SMILESCCO[Si](CCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C25H37F17O3Si/c1-4-43-46(44-5-2,45-6-3)17-15-13-11-9-7-8-10-12-14-16-18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42/h4-17H2,1-3H3
InChIKeyPCBAMSWIALCCKY-UHFFFAOYSA-N
MW736.62 g/mol
LogP10.95
Rot. Bonds24

About triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane

triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane (PubChem CID 138375957) has the molecular formula C25H37F17O3Si and a molecular weight of 736.62 g/mol. Its IUPAC name is triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane.

Molecular Properties

Compound Nametriethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane
PubChem CID138375957
Molecular FormulaC25H37F17O3Si
Molecular Weight736.62 g/mol
Exact Mass736.22
IUPAC Nametriethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane
SMILESCCO[Si](CCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C25H37F17O3Si/c1-4-43-46(44-5-2,45-6-3)17-15-13-11-9-7-8-10-12-14-16-18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42/h4-17H2,1-3H3
InChIKeyPCBAMSWIALCCKY-UHFFFAOYSA-N
XLogP10.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.62
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane
CID 138375960
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
diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononyl)-propoxysilane
CID 155607261
triethoxy(6,6,6-trifluorohexyl)silane
CID 140708883
triethoxy-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propyl]silane
CID 18466366
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 158341824
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814

Frequently Asked Questions

What is the IUPAC name of triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane?
The IUPAC name of triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane (CID 138375957) is triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane.
What is the SMILES notation for triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane?
The canonical SMILES for triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane is CCO[Si](CCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC.
What is the InChIKey of triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane?
The InChIKey is PCBAMSWIALCCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37F17O3Si/c1-4-43-46(44-5-2,45-6-3)17-15-13-11-9-7-8-10-12-14-16-18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42/h4-17H2,1-3H3.
What are the key properties of triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane?
triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane has a molecular weight of 736.62 g/mol, XLogP of 10.95, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane is sourced from PubChem (CID 138375957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).