[7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane

C24H44F6Si5 — CID 101175024

IUPAC[7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane
SMILESC[Si](C)(C)C1([Si](C)(C)C)CCC([Si](C)(C)C)([Si](C)(C)C)[Si]12C=C(C(F)(F)F)C=CC(C(F)(F)F)=C2
InChIInChI=1S/C24H44F6Si5/c1-31(2,3)21(32(4,5)6)15-16-22(33(7,8)9,34(10,11)12)35(21)17-19(23(25,26)27)13-14-20(18-35)24(28,29)30/h13-14,17-18H,15-16H2,1-12H3
InChIKeyWSHXPRXPKQJELA-UHFFFAOYSA-N
MW587.03 g/mol
LogP9.85
Rot. Bonds4

About [7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane

[7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane (PubChem CID 101175024) has the molecular formula C24H44F6Si5 and a molecular weight of 587.03 g/mol. Its IUPAC name is [7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane
PubChem CID101175024
Molecular FormulaC24H44F6Si5
Molecular Weight587.03 g/mol
Exact Mass586.22
IUPAC Name[7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane
SMILESC[Si](C)(C)C1([Si](C)(C)C)CCC([Si](C)(C)C)([Si](C)(C)C)[Si]12C=C(C(F)(F)F)C=CC(C(F)(F)F)=C2
InChIInChI=1S/C24H44F6Si5/c1-31(2,3)21(32(4,5)6)15-16-22(33(7,8)9,34(10,11)12)35(21)17-19(23(25,26)27)13-14-20(18-35)24(28,29)30/h13-14,17-18H,15-16H2,1-12H3
InChIKeyWSHXPRXPKQJELA-UHFFFAOYSA-N
XLogP9.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.03
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[7,10-Dimethyl-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane
CID 101175020

Frequently Asked Questions

What is the IUPAC name of [7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane?
The IUPAC name of [7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane (CID 101175024) is [7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane.
What is the SMILES notation for [7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane?
The canonical SMILES for [7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane is C[Si](C)(C)C1([Si](C)(C)C)CCC([Si](C)(C)C)([Si](C)(C)C)[Si]12C=C(C(F)(F)F)C=CC(C(F)(F)F)=C2.
What is the InChIKey of [7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane?
The InChIKey is WSHXPRXPKQJELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44F6Si5/c1-31(2,3)21(32(4,5)6)15-16-22(33(7,8)9,34(10,11)12)35(21)17-19(23(25,26)27)13-14-20(18-35)24(28,29)30/h13-14,17-18H,15-16H2,1-12H3.
What are the key properties of [7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane?
[7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane has a molecular weight of 587.03 g/mol, XLogP of 9.85, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [7,10-bis(trifluoromethyl)-1,4,4-tris(trimethylsilyl)-5-silaspiro[4.6]undeca-6,8,10-trien-1-yl]-trimethylsilane is sourced from PubChem (CID 101175024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).