tert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane

C31H37NO2Si — CID 15355701

IUPACtert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane
SMILESC/C(=C\Cc1cnc2occc2c1)CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H37NO2Si/c1-25(18-19-26-23-27-20-22-33-30(27)32-24-26)13-11-12-21-34-35(31(2,3)4,28-14-7-5-8-15-28)29-16-9-6-10-17-29/h5-10,14-18,20,22-24H,11-13,19,21H2,1-4H3/b25-18+
InChIKeyYVDQUFIUCGNEGN-XIEYBQDHSA-N
MW483.73 g/mol
LogP7.06
Rot. Bonds10

About tert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane

tert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane (PubChem CID 15355701) has the molecular formula C31H37NO2Si and a molecular weight of 483.73 g/mol. Its IUPAC name is tert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane
PubChem CID15355701
Molecular FormulaC31H37NO2Si
Molecular Weight483.73 g/mol
Exact Mass483.26
IUPAC Nametert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane
SMILESC/C(=C\Cc1cnc2occc2c1)CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H37NO2Si/c1-25(18-19-26-23-27-20-22-33-30(27)32-24-26)13-11-12-21-34-35(31(2,3)4,28-14-7-5-8-15-28)29-16-9-6-10-17-29/h5-10,14-18,20,22-24H,11-13,19,21H2,1-4H3/b25-18+
InChIKeyYVDQUFIUCGNEGN-XIEYBQDHSA-N
XLogP7.06
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.73
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane (CID 15355701) is tert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane is C/C(=C\Cc1cnc2occc2c1)CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane?
The InChIKey is YVDQUFIUCGNEGN-XIEYBQDHSA-N. The full InChI is InChI=1S/C31H37NO2Si/c1-25(18-19-26-23-27-20-22-33-30(27)32-24-26)13-11-12-21-34-35(31(2,3)4,28-14-7-5-8-15-28)29-16-9-6-10-17-29/h5-10,14-18,20,22-24H,11-13,19,21H2,1-4H3/b25-18+.
What are the key properties of tert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane?
tert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane has a molecular weight of 483.73 g/mol, XLogP of 7.06, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-7-furo[2,3-b]pyridin-5-yl-5-methylhept-5-enoxy]-diphenylsilane is sourced from PubChem (CID 15355701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).