2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C13H25F9O4Si4 — CID 162030705

IUPAC2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[SiH]1O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1
InChIInChI=1S/C13H25F9O4Si4/c1-27-23-28(2,8-5-11(14,15)16)25-30(4,10-7-13(20,21)22)26-29(3,24-27)9-6-12(17,18)19/h27H,5-10H2,1-4H3
InChIKeyYVZGIKLJEXQBMQ-UHFFFAOYSA-N
MW528.67 g/mol
LogP5.99
Rot. Bonds6

About 2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 162030705) has the molecular formula C13H25F9O4Si4 and a molecular weight of 528.67 g/mol. Its IUPAC name is 2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID162030705
Molecular FormulaC13H25F9O4Si4
Molecular Weight528.67 g/mol
Exact Mass528.07
IUPAC Name2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESC[SiH]1O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1
InChIInChI=1S/C13H25F9O4Si4/c1-27-23-28(2,8-5-11(14,15)16)25-30(4,10-7-13(20,21)22)26-29(3,24-27)9-6-12(17,18)19/h27H,5-10H2,1-4H3
InChIKeyYVZGIKLJEXQBMQ-UHFFFAOYSA-N
XLogP5.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.67
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6,8-tetramethyl-2-(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 154128105
2,4,6-trimethyl-2-(3,3,3-trichloropropyl)-1,3,5,2,4,6-trioxatrisilinane
CID 150465628
2,4-dihydroxy-2,4,6,8-tetramethyl-6-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 157296418
2,4,8-trihydroxy-2,4,6,8,10-pentamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane
CID 123831411
2-(3-chloropropyl)-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
CID 175167484
1,1,1-trifluoro-4-iodo-4-methylpentane
CID 162614405
2,2,4,4-tetramethyl-6-(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane
CID 150485353
2,4,6,8-tetramethyl-2,4,6,8-tetrapentyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 142697059
2-(3-methoxypropyl)-2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 59622480
2,2,4-tris(4,4,4-trifluorobutyl)-1,3,5,2,4,6-trioxatrisilinane
CID 123536988
dimethyl-bis(3,3,3-trifluoropropyl)silane
CID 139788750
Dimethyl(4,4,4-trifluorobutyl)silane
CID 23572252

Frequently Asked Questions

What is the IUPAC name of 2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 162030705) is 2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is C[SiH]1O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1.
What is the InChIKey of 2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is YVZGIKLJEXQBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F9O4Si4/c1-27-23-28(2,8-5-11(14,15)16)25-30(4,10-7-13(20,21)22)26-29(3,24-27)9-6-12(17,18)19/h27H,5-10H2,1-4H3.
What are the key properties of 2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 528.67 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8-tetramethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 162030705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).