bis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane

C15H27F3O2Si — CID 123462563

IUPACbis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane
SMILESCC1(O[SiH](OC2(C)CCCCC2)C(F)(F)F)CCCCC1
InChIInChI=1S/C15H27F3O2Si/c1-13(9-5-3-6-10-13)19-21(15(16,17)18)20-14(2)11-7-4-8-12-14/h21H,3-12H2,1-2H3
InChIKeyCTQOLDHAFIZXFC-UHFFFAOYSA-N
MW324.46 g/mol
LogP4.79
Rot. Bonds4

About bis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane

bis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane (PubChem CID 123462563) has the molecular formula C15H27F3O2Si and a molecular weight of 324.46 g/mol. Its IUPAC name is bis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane.

Molecular Properties

Compound Namebis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane
PubChem CID123462563
Molecular FormulaC15H27F3O2Si
Molecular Weight324.46 g/mol
Exact Mass324.17
IUPAC Namebis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane
SMILESCC1(O[SiH](OC2(C)CCCCC2)C(F)(F)F)CCCCC1
InChIInChI=1S/C15H27F3O2Si/c1-13(9-5-3-6-10-13)19-21(15(16,17)18)20-14(2)11-7-4-8-12-14/h21H,3-12H2,1-2H3
InChIKeyCTQOLDHAFIZXFC-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane?
The IUPAC name of bis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane (CID 123462563) is bis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane.
What is the SMILES notation for bis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane?
The canonical SMILES for bis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane is CC1(O[SiH](OC2(C)CCCCC2)C(F)(F)F)CCCCC1.
What is the InChIKey of bis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane?
The InChIKey is CTQOLDHAFIZXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3O2Si/c1-13(9-5-3-6-10-13)19-21(15(16,17)18)20-14(2)11-7-4-8-12-14/h21H,3-12H2,1-2H3.
What are the key properties of bis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane?
bis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane has a molecular weight of 324.46 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(1-methylcyclohexyl)oxy]-(trifluoromethyl)silane is sourced from PubChem (CID 123462563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).