ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium

C32H53Si+ — CID 102529639

IUPACethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium
SMILESCC[SiH2+](c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C32H53Si/c1-14-33(31-27(21(6)7)15-25(19(2)3)16-28(31)22(8)9)32-29(23(10)11)17-26(20(4)5)18-30(32)24(12)13/h15-24H,14,33H2,1-13H3/q+1
InChIKeyFEUHCQBIIAOJPL-UHFFFAOYSA-N
MW465.86 g/mol
LogP8.52
Rot. Bonds9

About ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium

ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium (PubChem CID 102529639) has the molecular formula C32H53Si+ and a molecular weight of 465.86 g/mol. Its IUPAC name is ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium.

Molecular Properties

Compound Nameethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium
PubChem CID102529639
Molecular FormulaC32H53Si+
Molecular Weight465.86 g/mol
Exact Mass465.39
IUPAC Nameethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium
SMILESCC[SiH2+](c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C32H53Si/c1-14-33(31-27(21(6)7)15-25(19(2)3)16-28(31)22(8)9)32-29(23(10)11)17-26(20(4)5)18-30(32)24(12)13/h15-24H,14,33H2,1-13H3/q+1
InChIKeyFEUHCQBIIAOJPL-UHFFFAOYSA-N
XLogP8.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.86
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium?
The IUPAC name of ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium (CID 102529639) is ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium.
What is the SMILES notation for ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium?
The canonical SMILES for ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium is CC[SiH2+](c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium?
The InChIKey is FEUHCQBIIAOJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53Si/c1-14-33(31-27(21(6)7)15-25(19(2)3)16-28(31)22(8)9)32-29(23(10)11)17-26(20(4)5)18-30(32)24(12)13/h15-24H,14,33H2,1-13H3/q+1.
What are the key properties of ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium?
ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium has a molecular weight of 465.86 g/mol, XLogP of 8.52, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium is sourced from PubChem (CID 102529639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).