2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane

C22H35NO2Si — CID 141314215

IUPAC2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1cccnc1OCC1CCOCC1)(C(C)C)C(C)C
InChIInChI=1S/C22H35NO2Si/c1-17(2)26(18(3)4,19(5)6)15-11-21-8-7-12-23-22(21)25-16-20-9-13-24-14-10-20/h7-8,12,17-20H,9-10,13-14,16H2,1-6H3
InChIKeyORQCBHHINYCOGO-UHFFFAOYSA-N
MW373.61 g/mol
LogP5.46
Rot. Bonds6

About 2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane

2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane (PubChem CID 141314215) has the molecular formula C22H35NO2Si and a molecular weight of 373.61 g/mol. Its IUPAC name is 2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane
PubChem CID141314215
Molecular FormulaC22H35NO2Si
Molecular Weight373.61 g/mol
Exact Mass373.24
IUPAC Name2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#Cc1cccnc1OCC1CCOCC1)(C(C)C)C(C)C
InChIInChI=1S/C22H35NO2Si/c1-17(2)26(18(3)4,19(5)6)15-11-21-8-7-12-23-22(21)25-16-20-9-13-24-14-10-20/h7-8,12,17-20H,9-10,13-14,16H2,1-6H3
InChIKeyORQCBHHINYCOGO-UHFFFAOYSA-N
XLogP5.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.61
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane (CID 141314215) is 2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#Cc1cccnc1OCC1CCOCC1)(C(C)C)C(C)C.
What is the InChIKey of 2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane?
The InChIKey is ORQCBHHINYCOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO2Si/c1-17(2)26(18(3)4,19(5)6)15-11-21-8-7-12-23-22(21)25-16-20-9-13-24-14-10-20/h7-8,12,17-20H,9-10,13-14,16H2,1-6H3.
What are the key properties of 2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane?
2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane has a molecular weight of 373.61 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-ylmethoxy)-3-pyridinyl]ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 141314215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).