triethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane

C26H40N2OSi2 — CID 102024089

IUPACtriethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane
SMILESCC[Si](CC)(CC)OCc1cc2c(nc1-c1cc3c(nc1[Si](C)(C)C)CCC3)CCC2
InChIInChI=1S/C26H40N2OSi2/c1-7-31(8-2,9-3)29-18-21-16-19-12-10-14-23(19)27-25(21)22-17-20-13-11-15-24(20)28-26(22)30(4,5)6/h16-17H,7-15,18H2,1-6H3
InChIKeyDXWPUTPUYDYBFQ-UHFFFAOYSA-N
MW452.79 g/mol
LogP6.19
Rot. Bonds8

About triethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane

triethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane (PubChem CID 102024089) has the molecular formula C26H40N2OSi2 and a molecular weight of 452.79 g/mol. Its IUPAC name is triethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane.

Molecular Properties

Compound Nametriethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane
PubChem CID102024089
Molecular FormulaC26H40N2OSi2
Molecular Weight452.79 g/mol
Exact Mass452.27
IUPAC Nametriethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane
SMILESCC[Si](CC)(CC)OCc1cc2c(nc1-c1cc3c(nc1[Si](C)(C)C)CCC3)CCC2
InChIInChI=1S/C26H40N2OSi2/c1-7-31(8-2,9-3)29-18-21-16-19-12-10-14-23(19)27-25(21)22-17-20-13-11-15-24(20)28-26(22)30(4,5)6/h16-17H,7-15,18H2,1-6H3
InChIKeyDXWPUTPUYDYBFQ-UHFFFAOYSA-N
XLogP6.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.79
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze triethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of triethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane?
The IUPAC name of triethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane (CID 102024089) is triethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane.
What is the SMILES notation for triethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane?
The canonical SMILES for triethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane is CC[Si](CC)(CC)OCc1cc2c(nc1-c1cc3c(nc1[Si](C)(C)C)CCC3)CCC2.
What is the InChIKey of triethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane?
The InChIKey is DXWPUTPUYDYBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2OSi2/c1-7-31(8-2,9-3)29-18-21-16-19-12-10-14-23(19)27-25(21)22-17-20-13-11-15-24(20)28-26(22)30(4,5)6/h16-17H,7-15,18H2,1-6H3.
What are the key properties of triethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane?
triethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane has a molecular weight of 452.79 g/mol, XLogP of 6.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[2-(2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane is sourced from PubChem (CID 102024089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).