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

C17H33F9O5Si4 — CID 58757764

IUPAC2-(3-methoxypropyl)-2,4,6,8-tetramethyl-4,6,8-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCOCCC[Si]1(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1
InChIInChI=1S/C17H33F9O5Si4/c1-27-10-6-11-32(2)28-33(3,12-7-15(18,19)20)30-35(5,14-9-17(24,25)26)31-34(4,29-32)13-8-16(21,22)23/h6-14H2,1-5H3
InChIKeyJCMNFXSGAQEIDQ-UHFFFAOYSA-N
MW600.77 g/mol
LogP7.25
Rot. Bonds10

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

2-(3-methoxypropyl)-2,4,6,8-tetramethyl-4,6,8-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 58757764) has the molecular formula C17H33F9O5Si4 and a molecular weight of 600.77 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-2,4,6,8-tetramethyl-4,6,8-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2-(3-methoxypropyl)-2,4,6,8-tetramethyl-4,6,8-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID58757764
Molecular FormulaC17H33F9O5Si4
Molecular Weight600.77 g/mol
Exact Mass600.13
IUPAC Name2-(3-methoxypropyl)-2,4,6,8-tetramethyl-4,6,8-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCOCCC[Si]1(C)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1
InChIInChI=1S/C17H33F9O5Si4/c1-27-10-6-11-32(2)28-33(3,12-7-15(18,19)20)30-35(5,14-9-17(24,25)26)31-34(4,29-32)13-8-16(21,22)23/h6-14H2,1-5H3
InChIKeyJCMNFXSGAQEIDQ-UHFFFAOYSA-N
XLogP7.25
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-2,4,6,8-tetramethyl-4,6,8-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2-(3-methoxypropyl)-2,4,6,8-tetramethyl-4,6,8-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 58757764) is 2-(3-methoxypropyl)-2,4,6,8-tetramethyl-4,6,8-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2-(3-methoxypropyl)-2,4,6,8-tetramethyl-4,6,8-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2-(3-methoxypropyl)-2,4,6,8-tetramethyl-4,6,8-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is COCCC[Si]1(C)O[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-(3-methoxypropyl)-2,4,6,8-tetramethyl-4,6,8-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is JCMNFXSGAQEIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F9O5Si4/c1-27-10-6-11-32(2)28-33(3,12-7-15(18,19)20)30-35(5,14-9-17(24,25)26)31-34(4,29-32)13-8-16(21,22)23/h6-14H2,1-5H3.
What are the key properties of 2-(3-methoxypropyl)-2,4,6,8-tetramethyl-4,6,8-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2-(3-methoxypropyl)-2,4,6,8-tetramethyl-4,6,8-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 600.77 g/mol, XLogP of 7.25, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-2,4,6,8-tetramethyl-4,6,8-tris(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 58757764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).