3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile

C18H49NO8Si8 — CID 6429713

IUPAC3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(CCC#N)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C18H49NO8Si8/c1-28(2)20-29(3,4)22-31(7,8)24-33(11,12)26-35(15,18-16-17-19)27-34(13,14)25-32(9,10)23-30(5,6)21-28/h16,18H2,1-15H3
InChIKeyLZDBXFNOXHTKMW-UHFFFAOYSA-N
MW632.28 g/mol
LogP6.03
Rot. Bonds2

About 3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile

3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile (PubChem CID 6429713) has the molecular formula C18H49NO8Si8 and a molecular weight of 632.28 g/mol. Its IUPAC name is 3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile
PubChem CID6429713
Molecular FormulaC18H49NO8Si8
Molecular Weight632.28 g/mol
Exact Mass631.16
IUPAC Name3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(CCC#N)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C18H49NO8Si8/c1-28(2)20-29(3,4)22-31(7,8)24-33(11,12)26-35(15,18-16-17-19)27-34(13,14)25-32(9,10)23-30(5,6)21-28/h16,18H2,1-15H3
InChIKeyLZDBXFNOXHTKMW-UHFFFAOYSA-N
XLogP6.03
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.28
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile?
The IUPAC name of 3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile (CID 6429713) is 3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile.
What is the SMILES notation for 3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile?
The canonical SMILES for 3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile is C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(CCC#N)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of 3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile?
The InChIKey is LZDBXFNOXHTKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H49NO8Si8/c1-28(2)20-29(3,4)22-31(7,8)24-33(11,12)26-35(15,18-16-17-19)27-34(13,14)25-32(9,10)23-30(5,6)21-28/h16,18H2,1-15H3.
What are the key properties of 3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile?
3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile has a molecular weight of 632.28 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile is sourced from PubChem (CID 6429713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).