3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile

C10H25NO4Si4 — CID 6429725

IUPAC3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(CCC#N)O[Si](C)(C)O1
InChIInChI=1S/C10H25NO4Si4/c1-16(2)12-17(3,4)14-19(7,10-8-9-11)15-18(5,6)13-16/h8,10H2,1-7H3
InChIKeyTYASZAILKPFDCB-UHFFFAOYSA-N
MW335.66 g/mol
LogP3.16
Rot. Bonds2

About 3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile

3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile (PubChem CID 6429725) has the molecular formula C10H25NO4Si4 and a molecular weight of 335.66 g/mol. Its IUPAC name is 3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile
PubChem CID6429725
Molecular FormulaC10H25NO4Si4
Molecular Weight335.66 g/mol
Exact Mass335.09
IUPAC Name3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(CCC#N)O[Si](C)(C)O1
InChIInChI=1S/C10H25NO4Si4/c1-16(2)12-17(3,4)14-19(7,10-8-9-11)15-18(5,6)13-16/h8,10H2,1-7H3
InChIKeyTYASZAILKPFDCB-UHFFFAOYSA-N
XLogP3.16
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.66
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile?
The IUPAC name of 3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile (CID 6429725) is 3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile.
What is the SMILES notation for 3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile?
The canonical SMILES for 3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile is C[Si]1(C)O[Si](C)(C)O[Si](C)(CCC#N)O[Si](C)(C)O1.
What is the InChIKey of 3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile?
The InChIKey is TYASZAILKPFDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25NO4Si4/c1-16(2)12-17(3,4)14-19(7,10-8-9-11)15-18(5,6)13-16/h8,10H2,1-7H3.
What are the key properties of 3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile?
3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile has a molecular weight of 335.66 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propanenitrile is sourced from PubChem (CID 6429725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).