dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane

C23H26F24O3Si — CID 161089148

IUPACdimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane
SMILESCO[Si](CCCCC(F)(F)F)(OC)OC(C(F)(F)C(F)(F)CCC(F)(F)F)(C(F)(F)C(F)(F)CCC(F)(F)F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C23H26F24O3Si/c1-48-51(49-2,12-4-3-5-16(30,31)32)50-20(21(42,43)13(24,25)6-9-17(33,34)35,22(44,45)14(26,27)7-10-18(36,37)38)23(46,47)15(28,29)8-11-19(39,40)41/h3-12H2,1-2H3
InChIKeyUGXZSBPHQHNGBO-UHFFFAOYSA-N
MW834.50 g/mol
LogP11.55
Rot. Bonds20

About dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane

dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane (PubChem CID 161089148) has the molecular formula C23H26F24O3Si and a molecular weight of 834.50 g/mol. Its IUPAC name is dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane.

Molecular Properties

Compound Namedimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane
PubChem CID161089148
Molecular FormulaC23H26F24O3Si
Molecular Weight834.50 g/mol
Exact Mass834.13
IUPAC Namedimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane
SMILESCO[Si](CCCCC(F)(F)F)(OC)OC(C(F)(F)C(F)(F)CCC(F)(F)F)(C(F)(F)C(F)(F)CCC(F)(F)F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C23H26F24O3Si/c1-48-51(49-2,12-4-3-5-16(30,31)32)50-20(21(42,43)13(24,25)6-9-17(33,34)35,22(44,45)14(26,27)7-10-18(36,37)38)23(46,47)15(28,29)8-11-19(39,40)41/h3-12H2,1-2H3
InChIKeyUGXZSBPHQHNGBO-UHFFFAOYSA-N
XLogP11.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.50
LogP ≤ 511.55
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'}

Analyze dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane with MolForge

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Related Compounds

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(11-Ethyl-1,1,1,21,21,21-hexafluorohenicosan-11-yl)oxy-bis[[1,1,1,23,23,23-hexafluoro-11,12,12,13,13-pentakis(10,10,10-trifluorodecyl)tricosan-11-yl]oxy]-(10,10,10-trifluorodecyl)silane
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Frequently Asked Questions

What is the IUPAC name of dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane?
The IUPAC name of dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane (CID 161089148) is dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane.
What is the SMILES notation for dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane?
The canonical SMILES for dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane is CO[Si](CCCCC(F)(F)F)(OC)OC(C(F)(F)C(F)(F)CCC(F)(F)F)(C(F)(F)C(F)(F)CCC(F)(F)F)C(F)(F)C(F)(F)CCC(F)(F)F.
What is the InChIKey of dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane?
The InChIKey is UGXZSBPHQHNGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F24O3Si/c1-48-51(49-2,12-4-3-5-16(30,31)32)50-20(21(42,43)13(24,25)6-9-17(33,34)35,22(44,45)14(26,27)7-10-18(36,37)38)23(46,47)15(28,29)8-11-19(39,40)41/h3-12H2,1-2H3.
What are the key properties of dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane?
dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane has a molecular weight of 834.50 g/mol, XLogP of 11.55, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-[1,1,1,4,4,5,5,7,7,8,8,11,11,11-tetradecafluoro-6-(1,1,2,2,5,5,5-heptafluoropentyl)undecan-6-yl]oxy-(5,5,5-trifluoropentyl)silane is sourced from PubChem (CID 161089148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).