tert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane

C34H56N2O2Si2 — CID 10984741

IUPACtert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)[C@H]1CCc2ccc(-c3ccc4c(n3)[C@@H](C(C)(C)O[Si](C)(C)C(C)(C)C)CC4)nc21
InChIInChI=1S/C34H56N2O2Si2/c1-31(2,3)39(11,12)37-33(7,8)25-19-15-23-17-21-27(35-29(23)25)28-22-18-24-16-20-26(30(24)36-28)34(9,10)38-40(13,14)32(4,5)6/h17-18,21-22,25-26H,15-16,19-20H2,1-14H3/t25-,26-/m0/s1
InChIKeyVGWCBQLXYDELID-UIOOFZCWSA-N
MW581.01 g/mol
LogP9.80
Rot. Bonds7

About tert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane

tert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane (PubChem CID 10984741) has the molecular formula C34H56N2O2Si2 and a molecular weight of 581.01 g/mol. Its IUPAC name is tert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane
PubChem CID10984741
Molecular FormulaC34H56N2O2Si2
Molecular Weight581.01 g/mol
Exact Mass580.39
IUPAC Nametert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)[C@H]1CCc2ccc(-c3ccc4c(n3)[C@@H](C(C)(C)O[Si](C)(C)C(C)(C)C)CC4)nc21
InChIInChI=1S/C34H56N2O2Si2/c1-31(2,3)39(11,12)37-33(7,8)25-19-15-23-17-21-27(35-29(23)25)28-22-18-24-16-20-26(30(24)36-28)34(9,10)38-40(13,14)32(4,5)6/h17-18,21-22,25-26H,15-16,19-20H2,1-14H3/t25-,26-/m0/s1
InChIKeyVGWCBQLXYDELID-UIOOFZCWSA-N
XLogP9.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.01
LogP ≤ 59.80
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 tert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane (CID 10984741) is tert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane is CC(C)(O[Si](C)(C)C(C)(C)C)[C@H]1CCc2ccc(-c3ccc4c(n3)[C@@H](C(C)(C)O[Si](C)(C)C(C)(C)C)CC4)nc21.
What is the InChIKey of tert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane?
The InChIKey is VGWCBQLXYDELID-UIOOFZCWSA-N. The full InChI is InChI=1S/C34H56N2O2Si2/c1-31(2,3)39(11,12)37-33(7,8)25-19-15-23-17-21-27(35-29(23)25)28-22-18-24-16-20-26(30(24)36-28)34(9,10)38-40(13,14)32(4,5)6/h17-18,21-22,25-26H,15-16,19-20H2,1-14H3/t25-,26-/m0/s1.
What are the key properties of tert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane?
tert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane has a molecular weight of 581.01 g/mol, XLogP of 9.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(7S)-2-[(7S)-7-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]propan-2-yloxy]-dimethylsilane is sourced from PubChem (CID 10984741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).