3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-2-yl)propanenitrile

C16H43NO7Si7 — CID 6429714

IUPAC3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-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)O1
InChIInChI=1S/C16H43NO7Si7/c1-25(2)18-26(3,4)20-28(7,8)22-30(11,12)24-31(13,16-14-15-17)23-29(9,10)21-27(5,6)19-25/h14,16H2,1-13H3
InChIKeyCYOWEPZARXTZJP-UHFFFAOYSA-N
MW558.12 g/mol
LogP5.31
Rot. Bonds2

About 3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-2-yl)propanenitrile

3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-2-yl)propanenitrile (PubChem CID 6429714) has the molecular formula C16H43NO7Si7 and a molecular weight of 558.12 g/mol. Its IUPAC name is 3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-2-yl)propanenitrile
PubChem CID6429714
Molecular FormulaC16H43NO7Si7
Molecular Weight558.12 g/mol
Exact Mass557.14
IUPAC Name3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-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)O1
InChIInChI=1S/C16H43NO7Si7/c1-25(2)18-26(3,4)20-28(7,8)22-30(11,12)24-31(13,16-14-15-17)23-29(9,10)21-27(5,6)19-25/h14,16H2,1-13H3
InChIKeyCYOWEPZARXTZJP-UHFFFAOYSA-N
XLogP5.31
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.12
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-2-yl)propanenitrile with MolForge

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Related Compounds

CID 6429716
CID 6429716
CID 6429720
CID 6429720
CID 6429721
CID 6429721
CID 6429725
CID 6429725
CID 6429727
CID 6429727
CID 6429730
CID 6429730
CID 6429733
CID 6429733
CID 6429736
CID 6429736
CID 129660020
CID 129660020
CID 6429710
CID 6429710
CID 6429713
CID 6429713
CID 6429728
CID 6429728

Frequently Asked Questions

What is the IUPAC name of 3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-2-yl)propanenitrile?
The IUPAC name of 3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-2-yl)propanenitrile (CID 6429714) is 3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-2-yl)propanenitrile.
What is the SMILES notation for 3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-2-yl)propanenitrile?
The canonical SMILES for 3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-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)O1.
What is the InChIKey of 3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-2-yl)propanenitrile?
The InChIKey is CYOWEPZARXTZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H43NO7Si7/c1-25(2)18-26(3,4)20-28(7,8)22-30(11,12)24-31(13,16-14-15-17)23-29(9,10)21-27(5,6)19-25/h14,16H2,1-13H3.
What are the key properties of 3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-2-yl)propanenitrile?
3-(2,4,4,6,6,8,8,10,10,12,12,14,14-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-2-yl)propanenitrile has a molecular weight of 558.12 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 8 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-tridecamethyl-1,3,5,7,9,11,13-heptaoxa-2,4,6,8,10,12,14-heptasilacyclotetradec-2-yl)propanenitrile is sourced from PubChem (CID 6429714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).