dimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane

C14H27F3O2Si — CID 20726339

IUPACdimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(CCCCOC1CCCCO1)CCC(F)(F)F
InChIInChI=1S/C14H27F3O2Si/c1-20(2,12-8-14(15,16)17)11-6-5-10-19-13-7-3-4-9-18-13/h13H,3-12H2,1-2H3
InChIKeyKJSMLOLTHGPLMB-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.97
Rot. Bonds8

About dimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane

dimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane (PubChem CID 20726339) has the molecular formula C14H27F3O2Si and a molecular weight of 312.45 g/mol. Its IUPAC name is dimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namedimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane
PubChem CID20726339
Molecular FormulaC14H27F3O2Si
Molecular Weight312.45 g/mol
Exact Mass312.17
IUPAC Namedimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(CCCCOC1CCCCO1)CCC(F)(F)F
InChIInChI=1S/C14H27F3O2Si/c1-20(2,12-8-14(15,16)17)11-6-5-10-19-13-7-3-4-9-18-13/h13H,3-12H2,1-2H3
InChIKeyKJSMLOLTHGPLMB-UHFFFAOYSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.97
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-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane?
The IUPAC name of dimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane (CID 20726339) is dimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for dimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for dimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane is C[Si](C)(CCCCOC1CCCCO1)CCC(F)(F)F.
What is the InChIKey of dimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane?
The InChIKey is KJSMLOLTHGPLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3O2Si/c1-20(2,12-8-14(15,16)17)11-6-5-10-19-13-7-3-4-9-18-13/h13H,3-12H2,1-2H3.
What are the key properties of dimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane?
dimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane has a molecular weight of 312.45 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-(oxan-2-yloxy)butyl]-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 20726339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).