[7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane

C12H39FO12Si10 — CID 58635805

IUPAC[7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane
SMILESC[SiH](C)O[Si]1(C)O[Si]2(C)O[Si](C)(O[SiH](C)C)O[Si]3(C)O[Si](C)(O2)O[Si](C)(O1)O[Si](F)(O[SiH](C)C)O3
InChIInChI=1S/C12H39FO12Si10/c1-26(2)14-29(7)17-31(9)18-30(8,15-27(3)4)20-34(12)23-32(10,21-31)22-33(11,19-29)24-35(13,25-34)16-28(5)6/h26-28H,1-12H3
InChIKeySMZRHQAMALNTQX-UHFFFAOYSA-N
MW675.29 g/mol
LogP1.99
Rot. Bonds6

About [7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane

[7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane (PubChem CID 58635805) has the molecular formula C12H39FO12Si10 and a molecular weight of 675.29 g/mol. Its IUPAC name is [7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Name[7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane
PubChem CID58635805
Molecular FormulaC12H39FO12Si10
Molecular Weight675.29 g/mol
Exact Mass674.01
IUPAC Name[7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane
SMILESC[SiH](C)O[Si]1(C)O[Si]2(C)O[Si](C)(O[SiH](C)C)O[Si]3(C)O[Si](C)(O2)O[Si](C)(O1)O[Si](F)(O[SiH](C)C)O3
InChIInChI=1S/C12H39FO12Si10/c1-26(2)14-29(7)17-31(9)18-30(8,15-27(3)4)20-34(12)23-32(10,21-31)22-33(11,19-29)24-35(13,25-34)16-28(5)6/h26-28H,1-12H3
InChIKeySMZRHQAMALNTQX-UHFFFAOYSA-N
XLogP1.99
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane?
The IUPAC name of [7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane (CID 58635805) is [7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for [7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane?
The canonical SMILES for [7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane is C[SiH](C)O[Si]1(C)O[Si]2(C)O[Si](C)(O[SiH](C)C)O[Si]3(C)O[Si](C)(O2)O[Si](C)(O1)O[Si](F)(O[SiH](C)C)O3.
What is the InChIKey of [7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane?
The InChIKey is SMZRHQAMALNTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H39FO12Si10/c1-26(2)14-29(7)17-31(9)18-30(8,15-27(3)4)20-34(12)23-32(10,21-31)22-33(11,19-29)24-35(13,25-34)16-28(5)6/h26-28H,1-12H3.
What are the key properties of [7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane?
[7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane has a molecular weight of 675.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [7,14-bis(dimethylsilyloxy)-3-fluoro-1,5,7,9,11,14-hexamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 58635805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).