2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane

C20H29NOSi — CID 177394788

IUPAC2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane
SMILESCOc1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2[nH]ccc2c1
InChIInChI=1S/C20H29NOSi/c1-14(2)23(15(3)4,16(5)6)11-9-18-13-19(22-7)12-17-8-10-21-20(17)18/h8,10,12-16,21H,1-7H3
InChIKeyDZPKFDAEPDWAJK-UHFFFAOYSA-N
MW327.54 g/mol
LogP5.75
Rot. Bonds4

About 2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane

2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane (PubChem CID 177394788) has the molecular formula C20H29NOSi and a molecular weight of 327.54 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane
PubChem CID177394788
Molecular FormulaC20H29NOSi
Molecular Weight327.54 g/mol
Exact Mass327.20
IUPAC Name2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane
SMILESCOc1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2[nH]ccc2c1
InChIInChI=1S/C20H29NOSi/c1-14(2)23(15(3)4,16(5)6)11-9-18-13-19(22-7)12-17-8-10-21-20(17)18/h8,10,12-16,21H,1-7H3
InChIKeyDZPKFDAEPDWAJK-UHFFFAOYSA-N
XLogP5.75
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.54
LogP ≤ 55.75
H-Bond Donors ≤ 51
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 2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane (CID 177394788) is 2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane is COc1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2[nH]ccc2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is DZPKFDAEPDWAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NOSi/c1-14(2)23(15(3)4,16(5)6)11-9-18-13-19(22-7)12-17-8-10-21-20(17)18/h8,10,12-16,21H,1-7H3.
What are the key properties of 2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane?
2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 327.54 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-7-yl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 177394788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).