3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane

C7H24O12Si7 — CID 23579070

IUPAC3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-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](C)(O)O[Si](C)(O1)O[Si](C)(O2)O3
InChIInChI=1S/C7H24O12Si7/c1-20(8)11-23(4)13-21(2,9)15-25(6)16-22(3,10)14-24(5,12-20)18-26(7,17-23)19-25/h8-10H,1-7H3
InChIKeyIYSDILUERNJPOV-UHFFFAOYSA-N
MW496.86 g/mol
LogP-0.87
Rot. Bonds

About 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane

3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-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 23579070) has the molecular formula C7H24O12Si7 and a molecular weight of 496.86 g/mol. Its IUPAC name is 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-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 Name3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-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 CID23579070
Molecular FormulaC7H24O12Si7
Molecular Weight496.86 g/mol
Exact Mass495.97
IUPAC Name3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-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](C)(O)O[Si](C)(O1)O[Si](C)(O2)O3
InChIInChI=1S/C7H24O12Si7/c1-20(8)11-23(4)13-21(2,9)15-25(6)16-22(3,10)14-24(5,12-20)18-26(7,17-23)19-25/h8-10H,1-7H3
InChIKeyIYSDILUERNJPOV-UHFFFAOYSA-N
XLogP-0.87
TPSA143.76 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.86
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-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 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-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 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-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 23579070) is 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-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 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-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 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-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](C)(O)O[Si](C)(O1)O[Si](C)(O2)O3.
What is the InChIKey of 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-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 IYSDILUERNJPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H24O12Si7/c1-20(8)11-23(4)13-21(2,9)15-25(6)16-22(3,10)14-24(5,12-20)18-26(7,17-23)19-25/h8-10H,1-7H3.
What are the key properties of 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane?
3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-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 496.86 g/mol, XLogP of -0.87, 0 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,14-trihydroxy-1,3,5,7,9,11,14-heptamethyl-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 23579070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).