triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane

C23H37F13O3Si — CID 138375960

IUPACtriethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane
SMILESCCO[Si](CCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C23H37F13O3Si/c1-4-37-40(38-5-2,39-6-3)17-15-13-11-9-7-8-10-12-14-16-18(24,25)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36/h4-17H2,1-3H3
InChIKeyLADPZZQOTBXVCW-UHFFFAOYSA-N
MW636.61 g/mol
LogP9.67
Rot. Bonds22

About triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane

triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane (PubChem CID 138375960) has the molecular formula C23H37F13O3Si and a molecular weight of 636.61 g/mol. Its IUPAC name is triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane.

Molecular Properties

Compound Nametriethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane
PubChem CID138375960
Molecular FormulaC23H37F13O3Si
Molecular Weight636.61 g/mol
Exact Mass636.23
IUPAC Nametriethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane
SMILESCCO[Si](CCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
InChIInChI=1S/C23H37F13O3Si/c1-4-37-40(38-5-2,39-6-3)17-15-13-11-9-7-8-10-12-14-16-18(24,25)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36/h4-17H2,1-3H3
InChIKeyLADPZZQOTBXVCW-UHFFFAOYSA-N
XLogP9.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.61
LogP ≤ 59.67
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(12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecyl)silane
CID 138375957
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(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane?
The IUPAC name of triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane (CID 138375960) is triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane.
What is the SMILES notation for triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane?
The canonical SMILES for triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane is CCO[Si](CCCCCCCCCCCC(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(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane?
The InChIKey is LADPZZQOTBXVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37F13O3Si/c1-4-37-40(38-5-2,39-6-3)17-15-13-11-9-7-8-10-12-14-16-18(24,25)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36/h4-17H2,1-3H3.
What are the key properties of triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane?
triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane has a molecular weight of 636.61 g/mol, XLogP of 9.67, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)silane is sourced from PubChem (CID 138375960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).