2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C10H25F3O4Si4 — CID 175577153

IUPAC2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCC[Si]1(F)O[Si](F)(F)O[Si](C)(C)O[Si](CC)(C(C)C)O1
InChIInChI=1S/C10H25F3O4Si4/c1-7-9-20(11)16-19(8-2,10(3)4)14-18(5,6)15-21(12,13)17-20/h10H,7-9H2,1-6H3
InChIKeyMSUASZVOSPPEHU-UHFFFAOYSA-N
MW378.64 g/mol
LogP4.33
Rot. Bonds4

About 2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 175577153) has the molecular formula C10H25F3O4Si4 and a molecular weight of 378.64 g/mol. Its IUPAC name is 2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID175577153
Molecular FormulaC10H25F3O4Si4
Molecular Weight378.64 g/mol
Exact Mass378.08
IUPAC Name2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCC[Si]1(F)O[Si](F)(F)O[Si](C)(C)O[Si](CC)(C(C)C)O1
InChIInChI=1S/C10H25F3O4Si4/c1-7-9-20(11)16-19(8-2,10(3)4)14-18(5,6)15-21(12,13)17-20/h10H,7-9H2,1-6H3
InChIKeyMSUASZVOSPPEHU-UHFFFAOYSA-N
XLogP4.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.64
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 175577153) is 2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCC[Si]1(F)O[Si](F)(F)O[Si](C)(C)O[Si](CC)(C(C)C)O1.
What is the InChIKey of 2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is MSUASZVOSPPEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25F3O4Si4/c1-7-9-20(11)16-19(8-2,10(3)4)14-18(5,6)15-21(12,13)17-20/h10H,7-9H2,1-6H3.
What are the key properties of 2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 378.64 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,6,6-trifluoro-8,8-dimethyl-2-propan-2-yl-4-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 175577153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).