[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium

C29H55NO2Si2Y-2 — CID 23267538

IUPAC[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium
SMILESC1CCOC1.C1CCOC1.CC1C(C)C(C)C([Si](C)(C)[N-]c2ccccc2)C1C.[CH2-][Si](C)(C)C.[Y]
InChIInChI=1S/C17H28NSi.2C4H8O.C4H11Si.Y/c1-12-13(2)15(4)17(14(12)3)19(5,6)18-16-10-8-7-9-11-16;2*1-2-4-5-3-1;1-5(2,3)4;/h7-15,17H,1-6H3;2*1-4H2;1H2,2-4H3;/q-1;;;-1;
InChIKeyBGAZGWXQNMCQMG-UHFFFAOYSA-N
MW594.84 g/mol
LogP9.11
Rot. Bonds3

About [dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium

[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium (PubChem CID 23267538) has the molecular formula C29H55NO2Si2Y-2 and a molecular weight of 594.84 g/mol. Its IUPAC name is [dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium.

Molecular Properties

Compound Name[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium
PubChem CID23267538
Molecular FormulaC29H55NO2Si2Y-2
Molecular Weight594.84 g/mol
Exact Mass594.28
IUPAC Name[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium
SMILESC1CCOC1.C1CCOC1.CC1C(C)C(C)C([Si](C)(C)[N-]c2ccccc2)C1C.[CH2-][Si](C)(C)C.[Y]
InChIInChI=1S/C17H28NSi.2C4H8O.C4H11Si.Y/c1-12-13(2)15(4)17(14(12)3)19(5,6)18-16-10-8-7-9-11-16;2*1-2-4-5-3-1;1-5(2,3)4;/h7-15,17H,1-6H3;2*1-4H2;1H2,2-4H3;/q-1;;;-1;
InChIKeyBGAZGWXQNMCQMG-UHFFFAOYSA-N
XLogP9.11
TPSA32.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.84
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium?
The IUPAC name of [dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium (CID 23267538) is [dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium.
What is the SMILES notation for [dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium?
The canonical SMILES for [dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium is C1CCOC1.C1CCOC1.CC1C(C)C(C)C([Si](C)(C)[N-]c2ccccc2)C1C.[CH2-][Si](C)(C)C.[Y].
What is the InChIKey of [dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium?
The InChIKey is BGAZGWXQNMCQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28NSi.2C4H8O.C4H11Si.Y/c1-12-13(2)15(4)17(14(12)3)19(5,6)18-16-10-8-7-9-11-16;2*1-2-4-5-3-1;1-5(2,3)4;/h7-15,17H,1-6H3;2*1-4H2;1H2,2-4H3;/q-1;;;-1;.
What are the key properties of [dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium?
[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium has a molecular weight of 594.84 g/mol, XLogP of 9.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-phenylazanide;methanidyl(trimethyl)silane;oxolane;yttrium is sourced from PubChem (CID 23267538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).