dimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane

C18H35F3O2Si2 — CID 57210663

IUPACdimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane
SMILESC[Si](C)(C)C1(C2([Si](C)(C)CCC(F)(F)F)CCCCO2)CCCCO1
InChIInChI=1S/C18H35F3O2Si2/c1-24(2,3)16(10-6-8-13-22-16)17(11-7-9-14-23-17)25(4,5)15-12-18(19,20)21/h6-15H2,1-5H3
InChIKeyMTDMEMLVNYQCJG-UHFFFAOYSA-N
MW396.64 g/mol
LogP5.94
Rot. Bonds5

About dimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane

dimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane (PubChem CID 57210663) has the molecular formula C18H35F3O2Si2 and a molecular weight of 396.64 g/mol. Its IUPAC name is dimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane.

Molecular Properties

Compound Namedimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane
PubChem CID57210663
Molecular FormulaC18H35F3O2Si2
Molecular Weight396.64 g/mol
Exact Mass396.21
IUPAC Namedimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane
SMILESC[Si](C)(C)C1(C2([Si](C)(C)CCC(F)(F)F)CCCCO2)CCCCO1
InChIInChI=1S/C18H35F3O2Si2/c1-24(2,3)16(10-6-8-13-22-16)17(11-7-9-14-23-17)25(4,5)15-12-18(19,20)21/h6-15H2,1-5H3
InChIKeyMTDMEMLVNYQCJG-UHFFFAOYSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.64
LogP ≤ 55.94
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 dimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane?
The IUPAC name of dimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane (CID 57210663) is dimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane.
What is the SMILES notation for dimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane?
The canonical SMILES for dimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane is C[Si](C)(C)C1(C2([Si](C)(C)CCC(F)(F)F)CCCCO2)CCCCO1.
What is the InChIKey of dimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane?
The InChIKey is MTDMEMLVNYQCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35F3O2Si2/c1-24(2,3)16(10-6-8-13-22-16)17(11-7-9-14-23-17)25(4,5)15-12-18(19,20)21/h6-15H2,1-5H3.
What are the key properties of dimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane?
dimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane has a molecular weight of 396.64 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(3,3,3-trifluoropropyl)-[2-(2-trimethylsilyloxan-2-yl)oxan-2-yl]silane is sourced from PubChem (CID 57210663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).