3-fluoro-3,7,14-trihydroxy-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]hexadecane

C6H21FO12Si7 — CID 23579069

IUPAC3-fluoro-3,7,14-trihydroxy-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]hexadecane
SMILESC[Si]1(O)O[Si]2(C)O[Si](C)(O)O[Si]3(C)O[Si](O)(F)O[Si](C)(O1)O[Si](C)(O2)O3
InChIInChI=1S/C6H21FO12Si7/c1-20(8)11-22(3)12-21(2,9)14-24(5)17-25(6,15-22)16-23(4,13-20)18-26(7,10)19-24/h8-10H,1-6H3
InChIKeyGZYODKWARHBATG-UHFFFAOYSA-N
MW500.82 g/mol
LogP-1.03
Rot. Bonds

About 3-fluoro-3,7,14-trihydroxy-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]hexadecane

3-fluoro-3,7,14-trihydroxy-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]hexadecane (PubChem CID 23579069) has the molecular formula C6H21FO12Si7 and a molecular weight of 500.82 g/mol. Its IUPAC name is 3-fluoro-3,7,14-trihydroxy-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]hexadecane.

Molecular Properties

Compound Name3-fluoro-3,7,14-trihydroxy-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]hexadecane
PubChem CID23579069
Molecular FormulaC6H21FO12Si7
Molecular Weight500.82 g/mol
Exact Mass499.94
IUPAC Name3-fluoro-3,7,14-trihydroxy-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]hexadecane
SMILESC[Si]1(O)O[Si]2(C)O[Si](C)(O)O[Si]3(C)O[Si](O)(F)O[Si](C)(O1)O[Si](C)(O2)O3
InChIInChI=1S/C6H21FO12Si7/c1-20(8)11-22(3)12-21(2,9)14-24(5)17-25(6,15-22)16-23(4,13-20)18-26(7,10)19-24/h8-10H,1-6H3
InChIKeyGZYODKWARHBATG-UHFFFAOYSA-N
XLogP-1.03
TPSA143.76 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.82
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-fluoro-3,7,14-trihydroxy-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]hexadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,7,14-trihydroxy-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]hexadecane?
The IUPAC name of 3-fluoro-3,7,14-trihydroxy-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]hexadecane (CID 23579069) is 3-fluoro-3,7,14-trihydroxy-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]hexadecane.
What is the SMILES notation for 3-fluoro-3,7,14-trihydroxy-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]hexadecane?
The canonical SMILES for 3-fluoro-3,7,14-trihydroxy-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]hexadecane is C[Si]1(O)O[Si]2(C)O[Si](C)(O)O[Si]3(C)O[Si](O)(F)O[Si](C)(O1)O[Si](C)(O2)O3.
What is the InChIKey of 3-fluoro-3,7,14-trihydroxy-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]hexadecane?
The InChIKey is GZYODKWARHBATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H21FO12Si7/c1-20(8)11-22(3)12-21(2,9)14-24(5)17-25(6,15-22)16-23(4,13-20)18-26(7,10)19-24/h8-10H,1-6H3.
What are the key properties of 3-fluoro-3,7,14-trihydroxy-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]hexadecane?
3-fluoro-3,7,14-trihydroxy-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]hexadecane has a molecular weight of 500.82 g/mol, XLogP of -1.03, 0 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,7,14-trihydroxy-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]hexadecane is sourced from PubChem (CID 23579069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).