hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane

C32H46F6O2Si — CID 91733059

IUPAChexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane
SMILESCCCCCCCCCCCCCCCCO[Si](OCC(F)(F)C(F)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H46F6O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-39-41(28-22-17-15-18-23-28,29-24-19-16-20-25-29)40-27-31(34,35)30(33)32(36,37)38/h15-20,22-25,30H,2-14,21,26-27H2,1H3
InChIKeyDYSMQNHLQBQVRM-UHFFFAOYSA-N
MW604.79 g/mol
LogP9.29
Rot. Bonds22

About hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane

hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane (PubChem CID 91733059) has the molecular formula C32H46F6O2Si and a molecular weight of 604.79 g/mol. Its IUPAC name is hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane.

Molecular Properties

Compound Namehexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane
PubChem CID91733059
Molecular FormulaC32H46F6O2Si
Molecular Weight604.79 g/mol
Exact Mass604.32
IUPAC Namehexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane
SMILESCCCCCCCCCCCCCCCCO[Si](OCC(F)(F)C(F)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H46F6O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-39-41(28-22-17-15-18-23-28,29-24-19-16-20-25-29)40-27-31(34,35)30(33)32(36,37)38/h15-20,22-25,30H,2-14,21,26-27H2,1H3
InChIKeyDYSMQNHLQBQVRM-UHFFFAOYSA-N
XLogP9.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.79
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,4,4,4-hexafluorobutoxy-nonoxy-diphenylsilane
CID 91733049
hexoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
CID 91733110
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520
(3-bromo-1,1,1-trifluoropropan-2-yl)oxy-diphenyl-undecoxysilane
CID 91699830
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-ethoxyethoxy-octoxy-diphenylsilane
CID 91742546
2-chloropropoxy-hexoxy-diphenylsilane
CID 91722793
3-methylpentoxy-octoxy-diphenylsilane
CID 91732735
decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane
CID 91743177
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
but-3-enoxy-heptoxy-diphenylsilane
CID 91741471
heptoxy-[(E)-non-3-enoxy]-diphenylsilane
CID 91741470

Frequently Asked Questions

What is the IUPAC name of hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane?
The IUPAC name of hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane (CID 91733059) is hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane.
What is the SMILES notation for hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane?
The canonical SMILES for hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane is CCCCCCCCCCCCCCCCO[Si](OCC(F)(F)C(F)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane?
The InChIKey is DYSMQNHLQBQVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46F6O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-39-41(28-22-17-15-18-23-28,29-24-19-16-20-25-29)40-27-31(34,35)30(33)32(36,37)38/h15-20,22-25,30H,2-14,21,26-27H2,1H3.
What are the key properties of hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane?
hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane has a molecular weight of 604.79 g/mol, XLogP of 9.29, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecoxy-(2,2,3,4,4,4-hexafluorobutoxy)-diphenylsilane is sourced from PubChem (CID 91733059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).