1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine

C14H21NSi2 — CID 10753796

IUPAC1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
SMILESC#Cc1ccc(N2[Si](C)(C)CC[Si]2(C)C)cc1
InChIInChI=1S/C14H21NSi2/c1-6-13-7-9-14(10-8-13)15-16(2,3)11-12-17(15,4)5/h1,7-10H,11-12H2,2-5H3
InChIKeyIGIZXTWKYHCABX-UHFFFAOYSA-N
MW259.50 g/mol
LogP3.90
Rot. Bonds1

About 1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine

1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine (PubChem CID 10753796) has the molecular formula C14H21NSi2 and a molecular weight of 259.50 g/mol. Its IUPAC name is 1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine.

Molecular Properties

Compound Name1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
PubChem CID10753796
Molecular FormulaC14H21NSi2
Molecular Weight259.50 g/mol
Exact Mass259.12
IUPAC Name1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine
SMILESC#Cc1ccc(N2[Si](C)(C)CC[Si]2(C)C)cc1
InChIInChI=1S/C14H21NSi2/c1-6-13-7-9-14(10-8-13)15-16(2,3)11-12-17(15,4)5/h1,7-10H,11-12H2,2-5H3
InChIKeyIGIZXTWKYHCABX-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The IUPAC name of 1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine (CID 10753796) is 1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine.
What is the SMILES notation for 1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The canonical SMILES for 1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine is C#Cc1ccc(N2[Si](C)(C)CC[Si]2(C)C)cc1.
What is the InChIKey of 1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
The InChIKey is IGIZXTWKYHCABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NSi2/c1-6-13-7-9-14(10-8-13)15-16(2,3)11-12-17(15,4)5/h1,7-10H,11-12H2,2-5H3.
What are the key properties of 1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine?
1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine has a molecular weight of 259.50 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethynylphenyl)-2,2,5,5-tetramethyl-1,2,5-azadisilolidine is sourced from PubChem (CID 10753796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).