ethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane

C16H31F3O3Si — CID 178070693

IUPACethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane
SMILESC=C[Si](OCC)(OCC)OC(C)CCCCCCCC(F)(F)F
InChIInChI=1S/C16H31F3O3Si/c1-5-20-23(7-3,21-6-2)22-15(4)13-11-9-8-10-12-14-16(17,18)19/h7,15H,3,5-6,8-14H2,1-2,4H3
InChIKeyHDRUSCQXQPUCOB-UHFFFAOYSA-N
MW356.50 g/mol
LogP5.42
Rot. Bonds14

About ethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane

ethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane (PubChem CID 178070693) has the molecular formula C16H31F3O3Si and a molecular weight of 356.50 g/mol. Its IUPAC name is ethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane.

Molecular Properties

Compound Nameethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane
PubChem CID178070693
Molecular FormulaC16H31F3O3Si
Molecular Weight356.50 g/mol
Exact Mass356.20
IUPAC Nameethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane
SMILESC=C[Si](OCC)(OCC)OC(C)CCCCCCCC(F)(F)F
InChIInChI=1S/C16H31F3O3Si/c1-5-20-23(7-3,21-6-2)22-15(4)13-11-9-8-10-12-14-16(17,18)19/h7,15H,3,5-6,8-14H2,1-2,4H3
InChIKeyHDRUSCQXQPUCOB-UHFFFAOYSA-N
XLogP5.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.50
LogP ≤ 55.42
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'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane?
The IUPAC name of ethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane (CID 178070693) is ethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane.
What is the SMILES notation for ethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane?
The canonical SMILES for ethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane is C=C[Si](OCC)(OCC)OC(C)CCCCCCCC(F)(F)F.
What is the InChIKey of ethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane?
The InChIKey is HDRUSCQXQPUCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3O3Si/c1-5-20-23(7-3,21-6-2)22-15(4)13-11-9-8-10-12-14-16(17,18)19/h7,15H,3,5-6,8-14H2,1-2,4H3.
What are the key properties of ethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane?
ethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane has a molecular weight of 356.50 g/mol, XLogP of 5.42, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-diethoxy-(10,10,10-trifluorodecan-2-yloxy)silane is sourced from PubChem (CID 178070693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).