5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane

C13H27F3OSi — CID 173144667

IUPAC5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane
SMILESCCCCC(C)(CCCC)O[SiH2]CCC(F)(F)F
InChIInChI=1S/C13H27F3OSi/c1-4-6-8-12(3,9-7-5-2)17-18-11-10-13(14,15)16/h4-11,18H2,1-3H3
InChIKeyRRYCCKMCTFWDIB-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.60
Rot. Bonds10

About 5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane

5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane (PubChem CID 173144667) has the molecular formula C13H27F3OSi and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Name5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane
PubChem CID173144667
Molecular FormulaC13H27F3OSi
Molecular Weight284.44 g/mol
Exact Mass284.18
IUPAC Name5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane
SMILESCCCCC(C)(CCCC)O[SiH2]CCC(F)(F)F
InChIInChI=1S/C13H27F3OSi/c1-4-6-8-12(3,9-7-5-2)17-18-11-10-13(14,15)16/h4-11,18H2,1-3H3
InChIKeyRRYCCKMCTFWDIB-UHFFFAOYSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.60
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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Frequently Asked Questions

What is the IUPAC name of 5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane?
The IUPAC name of 5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane (CID 173144667) is 5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for 5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane?
The canonical SMILES for 5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane is CCCCC(C)(CCCC)O[SiH2]CCC(F)(F)F.
What is the InChIKey of 5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane?
The InChIKey is RRYCCKMCTFWDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3OSi/c1-4-6-8-12(3,9-7-5-2)17-18-11-10-13(14,15)16/h4-11,18H2,1-3H3.
What are the key properties of 5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane?
5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane has a molecular weight of 284.44 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylnonan-5-yloxy(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 173144667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).