triethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane

C32H28F16O3Si — CID 59687605

IUPACtriethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(-c2ccc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc3)cc2)cc1
InChIInChI=1S/C32H28F16O3Si/c1-4-49-52(50-5-2,51-6-3)24-17-13-22(14-18-24)20-9-7-19(8-10-20)21-11-15-23(16-12-21)26(35,36)28(39,40)30(43,44)32(47,48)31(45,46)29(41,42)27(37,38)25(33)34/h7-18,25H,4-6H2,1-3H3
InChIKeyUAPBGWRQWJLYCZ-UHFFFAOYSA-N
MW792.63 g/mol
LogP10.44
Rot. Bonds17

About triethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane

triethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane (PubChem CID 59687605) has the molecular formula C32H28F16O3Si and a molecular weight of 792.63 g/mol. Its IUPAC name is triethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane.

Molecular Properties

Compound Nametriethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane
PubChem CID59687605
Molecular FormulaC32H28F16O3Si
Molecular Weight792.63 g/mol
Exact Mass792.16
IUPAC Nametriethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(-c2ccc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc3)cc2)cc1
InChIInChI=1S/C32H28F16O3Si/c1-4-49-52(50-5-2,51-6-3)24-17-13-22(14-18-24)20-9-7-19(8-10-20)21-11-15-23(16-12-21)26(35,36)28(39,40)30(43,44)32(47,48)31(45,46)29(41,42)27(37,38)25(33)34/h7-18,25H,4-6H2,1-3H3
InChIKeyUAPBGWRQWJLYCZ-UHFFFAOYSA-N
XLogP10.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.63
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane?
The IUPAC name of triethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane (CID 59687605) is triethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane.
What is the SMILES notation for triethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane?
The canonical SMILES for triethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane is CCO[Si](OCC)(OCC)c1ccc(-c2ccc(-c3ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc3)cc2)cc1.
What is the InChIKey of triethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane?
The InChIKey is UAPBGWRQWJLYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F16O3Si/c1-4-49-52(50-5-2,51-6-3)24-17-13-22(14-18-24)20-9-7-19(8-10-20)21-11-15-23(16-12-21)26(35,36)28(39,40)30(43,44)32(47,48)31(45,46)29(41,42)27(37,38)25(33)34/h7-18,25H,4-6H2,1-3H3.
What are the key properties of triethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane?
triethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane has a molecular weight of 792.63 g/mol, XLogP of 10.44, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[4-[4-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctyl)phenyl]phenyl]phenyl]silane is sourced from PubChem (CID 59687605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).