3-(2,4,4,6,6,8,8,10,10,12,12-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile

C14H37NO6Si6 — CID 6429716

IUPAC3-(2,4,4,6,6,8,8,10,10,12,12-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile
SMILESC[Si]1(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/C14H37NO6Si6/c1-22(2)16-23(3,4)18-25(7,8)20-27(11,14-12-13-15)21-26(9,10)19-24(5,6)17-22/h12,14H2,1-11H3
InChIKeyNFUVZFIKCBGQPV-UHFFFAOYSA-N
MW483.97 g/mol
LogP4.59
Rot. Bonds2

About 3-(2,4,4,6,6,8,8,10,10,12,12-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile

3-(2,4,4,6,6,8,8,10,10,12,12-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile (PubChem CID 6429716) has the molecular formula C14H37NO6Si6 and a molecular weight of 483.97 g/mol. Its IUPAC name is 3-(2,4,4,6,6,8,8,10,10,12,12-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(2,4,4,6,6,8,8,10,10,12,12-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile
PubChem CID6429716
Molecular FormulaC14H37NO6Si6
Molecular Weight483.97 g/mol
Exact Mass483.12
IUPAC Name3-(2,4,4,6,6,8,8,10,10,12,12-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile
SMILESC[Si]1(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/C14H37NO6Si6/c1-22(2)16-23(3,4)18-25(7,8)20-27(11,14-12-13-15)21-26(9,10)19-24(5,6)17-22/h12,14H2,1-11H3
InChIKeyNFUVZFIKCBGQPV-UHFFFAOYSA-N
XLogP4.59
TPSA79.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.97
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-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-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile?
The IUPAC name of 3-(2,4,4,6,6,8,8,10,10,12,12-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile (CID 6429716) is 3-(2,4,4,6,6,8,8,10,10,12,12-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile.
What is the SMILES notation for 3-(2,4,4,6,6,8,8,10,10,12,12-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile?
The canonical SMILES for 3-(2,4,4,6,6,8,8,10,10,12,12-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile is C[Si]1(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-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile?
The InChIKey is NFUVZFIKCBGQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H37NO6Si6/c1-22(2)16-23(3,4)18-25(7,8)20-27(11,14-12-13-15)21-26(9,10)19-24(5,6)17-22/h12,14H2,1-11H3.
What are the key properties of 3-(2,4,4,6,6,8,8,10,10,12,12-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile?
3-(2,4,4,6,6,8,8,10,10,12,12-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile has a molecular weight of 483.97 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,4,6,6,8,8,10,10,12,12-undecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododec-2-yl)propanenitrile is sourced from PubChem (CID 6429716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).