tri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane

C30H48N2O6Si2 — CID 177441202

IUPACtri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane
SMILESCC(C)O[Si](OC(C)C)(OC(C)C)c1ccc(C#Cc2ccc([Si](OC(C)C)(OC(C)C)OC(C)C)cn2)nc1
InChIInChI=1S/C30H48N2O6Si2/c1-21(2)33-39(34-22(3)4,35-23(5)6)29-17-15-27(31-19-29)13-14-28-16-18-30(20-32-28)40(36-24(7)8,37-25(9)10)38-26(11)12/h15-26H,1-12H3
InChIKeyFWEIODQXMPUUPA-UHFFFAOYSA-N
MW588.89 g/mol
LogP4.72
Rot. Bonds14

About tri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane

tri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane (PubChem CID 177441202) has the molecular formula C30H48N2O6Si2 and a molecular weight of 588.89 g/mol. Its IUPAC name is tri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane.

Molecular Properties

Compound Nametri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane
PubChem CID177441202
Molecular FormulaC30H48N2O6Si2
Molecular Weight588.89 g/mol
Exact Mass588.31
IUPAC Nametri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane
SMILESCC(C)O[Si](OC(C)C)(OC(C)C)c1ccc(C#Cc2ccc([Si](OC(C)C)(OC(C)C)OC(C)C)cn2)nc1
InChIInChI=1S/C30H48N2O6Si2/c1-21(2)33-39(34-22(3)4,35-23(5)6)29-17-15-27(31-19-29)13-14-28-16-18-30(20-32-28)40(36-24(7)8,37-25(9)10)38-26(11)12/h15-26H,1-12H3
InChIKeyFWEIODQXMPUUPA-UHFFFAOYSA-N
XLogP4.72
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.89
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 tri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane?
The IUPAC name of tri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane (CID 177441202) is tri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane.
What is the SMILES notation for tri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane?
The canonical SMILES for tri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane is CC(C)O[Si](OC(C)C)(OC(C)C)c1ccc(C#Cc2ccc([Si](OC(C)C)(OC(C)C)OC(C)C)cn2)nc1.
What is the InChIKey of tri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane?
The InChIKey is FWEIODQXMPUUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N2O6Si2/c1-21(2)33-39(34-22(3)4,35-23(5)6)29-17-15-27(31-19-29)13-14-28-16-18-30(20-32-28)40(36-24(7)8,37-25(9)10)38-26(11)12/h15-26H,1-12H3.
What are the key properties of tri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane?
tri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane has a molecular weight of 588.89 g/mol, XLogP of 4.72, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yloxy)-[6-[2-[5-tri(propan-2-yloxy)silyl-2-pyridinyl]ethynyl]-3-pyridinyl]silane is sourced from PubChem (CID 177441202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).