2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium

C18H24NOSiY- — CID 135017247

IUPAC2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium
SMILESCC(C)[Si](C#Cc1nc2c[c-]ccc2o1)(C(C)C)C(C)C.[Y]
InChIInChI=1S/C18H24NOSi.Y/c1-13(2)21(14(3)4,15(5)6)12-11-18-19-16-9-7-8-10-17(16)20-18;/h8-10,13-15H,1-6H3;/q-1;
InChIKeyIBHZCINIBACMEI-UHFFFAOYSA-N
MW387.39 g/mol
LogP5.19
Rot. Bonds3

About 2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium

2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium (PubChem CID 135017247) has the molecular formula C18H24NOSiY- and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium.

Molecular Properties

Compound Name2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium
PubChem CID135017247
Molecular FormulaC18H24NOSiY-
Molecular Weight387.39 g/mol
Exact Mass387.07
IUPAC Name2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium
SMILESCC(C)[Si](C#Cc1nc2c[c-]ccc2o1)(C(C)C)C(C)C.[Y]
InChIInChI=1S/C18H24NOSi.Y/c1-13(2)21(14(3)4,15(5)6)12-11-18-19-16-9-7-8-10-17(16)20-18;/h8-10,13-15H,1-6H3;/q-1;
InChIKeyIBHZCINIBACMEI-UHFFFAOYSA-N
XLogP5.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 55.19
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium?
The IUPAC name of 2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium (CID 135017247) is 2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium.
What is the SMILES notation for 2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium?
The canonical SMILES for 2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium is CC(C)[Si](C#Cc1nc2c[c-]ccc2o1)(C(C)C)C(C)C.[Y].
What is the InChIKey of 2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium?
The InChIKey is IBHZCINIBACMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NOSi.Y/c1-13(2)21(14(3)4,15(5)6)12-11-18-19-16-9-7-8-10-17(16)20-18;/h8-10,13-15H,1-6H3;/q-1;.
What are the key properties of 2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium?
2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium has a molecular weight of 387.39 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-1,3-benzoxazol-5-id-2-yl)ethynyl-tri(propan-2-yl)silane;yttrium is sourced from PubChem (CID 135017247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).