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

C30H48N2O2Si2 — CID 15364826

IUPACtriethyl-[[2-[3-(triethylsilyloxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane
SMILESCC[Si](CC)(CC)OCc1cc2c(nc1-c1nc3c(cc1CO[Si](CC)(CC)CC)CCC3)CCC2
InChIInChI=1S/C30H48N2O2Si2/c1-7-35(8-2,9-3)33-21-25-19-23-15-13-17-27(23)31-29(25)30-26(20-24-16-14-18-28(24)32-30)22-34-36(10-4,11-5)12-6/h19-20H,7-18,21-22H2,1-6H3
InChIKeyFBHQWOQNIGWFMZ-UHFFFAOYSA-N
MW524.90 g/mol
LogP8.16
Rot. Bonds13

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

triethyl-[[2-[3-(triethylsilyloxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane (PubChem CID 15364826) has the molecular formula C30H48N2O2Si2 and a molecular weight of 524.90 g/mol. Its IUPAC name is triethyl-[[2-[3-(triethylsilyloxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane.

Molecular Properties

Compound Nametriethyl-[[2-[3-(triethylsilyloxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane
PubChem CID15364826
Molecular FormulaC30H48N2O2Si2
Molecular Weight524.90 g/mol
Exact Mass524.33
IUPAC Nametriethyl-[[2-[3-(triethylsilyloxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane
SMILESCC[Si](CC)(CC)OCc1cc2c(nc1-c1nc3c(cc1CO[Si](CC)(CC)CC)CCC3)CCC2
InChIInChI=1S/C30H48N2O2Si2/c1-7-35(8-2,9-3)33-21-25-19-23-15-13-17-27(23)31-29(25)30-26(20-24-16-14-18-28(24)32-30)22-34-36(10-4,11-5)12-6/h19-20H,7-18,21-22H2,1-6H3
InChIKeyFBHQWOQNIGWFMZ-UHFFFAOYSA-N
XLogP8.16
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.90
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[[2-[3-(triethylsilyloxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane?
The IUPAC name of triethyl-[[2-[3-(triethylsilyloxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane (CID 15364826) is triethyl-[[2-[3-(triethylsilyloxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane.
What is the SMILES notation for triethyl-[[2-[3-(triethylsilyloxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane?
The canonical SMILES for triethyl-[[2-[3-(triethylsilyloxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane is CC[Si](CC)(CC)OCc1cc2c(nc1-c1nc3c(cc1CO[Si](CC)(CC)CC)CCC3)CCC2.
What is the InChIKey of triethyl-[[2-[3-(triethylsilyloxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane?
The InChIKey is FBHQWOQNIGWFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N2O2Si2/c1-7-35(8-2,9-3)33-21-25-19-23-15-13-17-27(23)31-29(25)30-26(20-24-16-14-18-28(24)32-30)22-34-36(10-4,11-5)12-6/h19-20H,7-18,21-22H2,1-6H3.
What are the key properties of triethyl-[[2-[3-(triethylsilyloxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane?
triethyl-[[2-[3-(triethylsilyloxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane has a molecular weight of 524.90 g/mol, XLogP of 8.16, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[[2-[3-(triethylsilyloxymethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methoxy]silane is sourced from PubChem (CID 15364826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).