dimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane

C13H25F3O2Si — CID 22717461

IUPACdimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(CCCOC1CCCCO1)CCC(F)(F)F
InChIInChI=1S/C13H25F3O2Si/c1-19(2,11-7-13(14,15)16)10-5-9-18-12-6-3-4-8-17-12/h12H,3-11H2,1-2H3
InChIKeyYQVQSBVHFZVARJ-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.58
Rot. Bonds7

About dimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane

dimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane (PubChem CID 22717461) has the molecular formula C13H25F3O2Si and a molecular weight of 298.42 g/mol. Its IUPAC name is dimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namedimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane
PubChem CID22717461
Molecular FormulaC13H25F3O2Si
Molecular Weight298.42 g/mol
Exact Mass298.16
IUPAC Namedimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(CCCOC1CCCCO1)CCC(F)(F)F
InChIInChI=1S/C13H25F3O2Si/c1-19(2,11-7-13(14,15)16)10-5-9-18-12-6-3-4-8-17-12/h12H,3-11H2,1-2H3
InChIKeyYQVQSBVHFZVARJ-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.58
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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Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane?
The IUPAC name of dimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane (CID 22717461) is dimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for dimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for dimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane is C[Si](C)(CCCOC1CCCCO1)CCC(F)(F)F.
What is the InChIKey of dimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane?
The InChIKey is YQVQSBVHFZVARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O2Si/c1-19(2,11-7-13(14,15)16)10-5-9-18-12-6-3-4-8-17-12/h12H,3-11H2,1-2H3.
What are the key properties of dimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane?
dimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane has a molecular weight of 298.42 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(oxan-2-yloxy)propyl]-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 22717461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).