methyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane

C15H24F6O2Si — CID 123414327

IUPACmethyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane
SMILESC[SiH](OC1(C(F)(F)F)CCCCC1)OC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C15H24F6O2Si/c1-24(22-12(14(16,17)18)8-4-2-5-9-12)23-13(15(19,20)21)10-6-3-7-11-13/h24H,2-11H2,1H3
InChIKeyIIEQWVWYELLKQB-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.40
Rot. Bonds4

About methyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane

methyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane (PubChem CID 123414327) has the molecular formula C15H24F6O2Si and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane.

Molecular Properties

Compound Namemethyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane
PubChem CID123414327
Molecular FormulaC15H24F6O2Si
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Namemethyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane
SMILESC[SiH](OC1(C(F)(F)F)CCCCC1)OC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C15H24F6O2Si/c1-24(22-12(14(16,17)18)8-4-2-5-9-12)23-13(15(19,20)21)10-6-3-7-11-13/h24H,2-11H2,1H3
InChIKeyIIEQWVWYELLKQB-UHFFFAOYSA-N
XLogP5.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.40
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 methyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane?
The IUPAC name of methyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane (CID 123414327) is methyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane.
What is the SMILES notation for methyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane?
The canonical SMILES for methyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane is C[SiH](OC1(C(F)(F)F)CCCCC1)OC1(C(F)(F)F)CCCCC1.
What is the InChIKey of methyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane?
The InChIKey is IIEQWVWYELLKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6O2Si/c1-24(22-12(14(16,17)18)8-4-2-5-9-12)23-13(15(19,20)21)10-6-3-7-11-13/h24H,2-11H2,1H3.
What are the key properties of methyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane?
methyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane has a molecular weight of 378.43 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis[[1-(trifluoromethyl)cyclohexyl]oxy]silane is sourced from PubChem (CID 123414327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).