diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane

C21H29F5O4Si2 — CID 90220517

IUPACdiethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane
SMILESCCO[Si](OCC)(OC(F)(F)C(F)(F)F)c1ccccc1.CO[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H15F5O3Si.C9H14OSi/c1-3-18-21(19-4-2,10-8-6-5-7-9-10)20-12(16,17)11(13,14)15;1-10-11(2,3)9-7-5-4-6-8-9/h5-9H,3-4H2,1-2H3;4-8H,1-3H3
InChIKeyUGQWXQXKBHBSSE-UHFFFAOYSA-N
MW496.62 g/mol
LogP4.82
Rot. Bonds9

About diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane

diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane (PubChem CID 90220517) has the molecular formula C21H29F5O4Si2 and a molecular weight of 496.62 g/mol. Its IUPAC name is diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane.

Molecular Properties

Compound Namediethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane
PubChem CID90220517
Molecular FormulaC21H29F5O4Si2
Molecular Weight496.62 g/mol
Exact Mass496.15
IUPAC Namediethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane
SMILESCCO[Si](OCC)(OC(F)(F)C(F)(F)F)c1ccccc1.CO[Si](C)(C)c1ccccc1
InChIInChI=1S/C12H15F5O3Si.C9H14OSi/c1-3-18-21(19-4-2,10-8-6-5-7-9-10)20-12(16,17)11(13,14)15;1-10-11(2,3)9-7-5-4-6-8-9/h5-9H,3-4H2,1-2H3;4-8H,1-3H3
InChIKeyUGQWXQXKBHBSSE-UHFFFAOYSA-N
XLogP4.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 54.82
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'}

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Related Compounds

CID 75705
CID 75705
CID 10144957
CID 10144957
CID 74576
CID 74576
CID 87366
CID 87366
CID 87707
CID 87707
CID 6335362
CID 6335362
CID 6455369
CID 6455369
CID 4712697
CID 4712697
CID 21852551
CID 21852551
CID 13637536
CID 13637536
CID 14324871
CID 14324871
CID 121233058
CID 121233058

Frequently Asked Questions

What is the IUPAC name of diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane?
The IUPAC name of diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane (CID 90220517) is diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane.
What is the SMILES notation for diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane?
The canonical SMILES for diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane is CCO[Si](OCC)(OC(F)(F)C(F)(F)F)c1ccccc1.CO[Si](C)(C)c1ccccc1.
What is the InChIKey of diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane?
The InChIKey is UGQWXQXKBHBSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5O3Si.C9H14OSi/c1-3-18-21(19-4-2,10-8-6-5-7-9-10)20-12(16,17)11(13,14)15;1-10-11(2,3)9-7-5-4-6-8-9/h5-9H,3-4H2,1-2H3;4-8H,1-3H3.
What are the key properties of diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane?
diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane has a molecular weight of 496.62 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane is sourced from PubChem (CID 90220517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).