(15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane

C24H50F2OSi — CID 170688850

IUPAC(15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane
SMILESCC(C)OCCCC(F)(F)CCCCCCCCCCCCCC[Si](C)(C)C
InChIInChI=1S/C24H50F2OSi/c1-23(2)27-21-18-20-24(25,26)19-16-14-12-10-8-6-7-9-11-13-15-17-22-28(3,4)5/h23H,6-22H2,1-5H3
InChIKeyJGWKADFKMLFXNS-UHFFFAOYSA-N
MW420.75 g/mol
LogP9.24
Rot. Bonds20

About (15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane

(15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane (PubChem CID 170688850) has the molecular formula C24H50F2OSi and a molecular weight of 420.75 g/mol. Its IUPAC name is (15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane.

Molecular Properties

Compound Name(15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane
PubChem CID170688850
Molecular FormulaC24H50F2OSi
Molecular Weight420.75 g/mol
Exact Mass420.36
IUPAC Name(15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane
SMILESCC(C)OCCCC(F)(F)CCCCCCCCCCCCCC[Si](C)(C)C
InChIInChI=1S/C24H50F2OSi/c1-23(2)27-21-18-20-24(25,26)19-16-14-12-10-8-6-7-9-11-13-15-17-22-28(3,4)5/h23H,6-22H2,1-5H3
InChIKeyJGWKADFKMLFXNS-UHFFFAOYSA-N
XLogP9.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.75
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Trimethyl(1,1,1-trifluorononan-2-yloxy)silane
CID 86241060
Methyl-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane
CID 123561843
Trimethoxy-[2-[3-(17,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane
CID 17986845
Trimethoxy-[15-(1,2,2-trifluoroethoxy)pentadecyl]silane
CID 19770320
Trimethoxy-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane
CID 21335547
Methoxy-dioxido-[15-(2,2,2-trifluoroethoxy)pentadecyl]silane
CID 59974844
Trimethyl-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane
CID 69887080
7,7,8,8-Tetrafluoro-6-(7,7,8,8-tetrafluorotetradecan-6-yloxy)tetradecane
CID 87193214
Trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane
CID 87516168
Trimethoxy-[1-(1,1,2-trifluoroethoxy)pentadecyl]silane
CID 87697418
Trimethoxy-[1-(1,2,2-trifluoroethoxy)pentadecyl]silane
CID 87697419
Trimethoxy-[2-[3-(7,17,17-trifluoroheptadecyl)oxiran-2-yl]ethyl]silane
CID 87881208

Frequently Asked Questions

What is the IUPAC name of (15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane?
The IUPAC name of (15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane (CID 170688850) is (15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane.
What is the SMILES notation for (15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane?
The canonical SMILES for (15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane is CC(C)OCCCC(F)(F)CCCCCCCCCCCCCC[Si](C)(C)C.
What is the InChIKey of (15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane?
The InChIKey is JGWKADFKMLFXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50F2OSi/c1-23(2)27-21-18-20-24(25,26)19-16-14-12-10-8-6-7-9-11-13-15-17-22-28(3,4)5/h23H,6-22H2,1-5H3.
What are the key properties of (15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane?
(15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane has a molecular weight of 420.75 g/mol, XLogP of 9.24, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (15,15-difluoro-18-propan-2-yloxyoctadecyl)-trimethylsilane is sourced from PubChem (CID 170688850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).