38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene

C38H30N8O2Si — CID 59317622

IUPAC38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
SMILESCC(C)O[Si]1(OC(C)C)n2c3c4ccccc4c2/N=C2\N=C(/N=c4/c5ccccc5/c(n41)=N/C1=N/C(=N\3)c3ccccc31)c1ccccc12
InChIInChI=1S/C38H30N8O2Si/c1-21(2)47-49(48-22(3)4)45-35-27-17-9-10-18-28(27)37(45)43-33-25-15-7-8-16-26(25)34(40-33)44-38-30-20-12-11-19-29(30)36(46(38)49)42-32-24-14-6-5-13-23(24)31(39-32)41-35/h5-22H,1-4H3/b41-31-,41-35-,42-32-,42-36-,43-33-,43-37-,44-34-,44-38-
InChIKeyPRZBDRWKCXIOPB-FVMCGXLVSA-N
MW658.80 g/mol
LogP6.22
Rot. Bonds4

About 38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene

38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene (PubChem CID 59317622) has the molecular formula C38H30N8O2Si and a molecular weight of 658.80 g/mol. Its IUPAC name is 38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene.

Molecular Properties

Compound Name38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
PubChem CID59317622
Molecular FormulaC38H30N8O2Si
Molecular Weight658.80 g/mol
Exact Mass658.23
IUPAC Name38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
SMILESCC(C)O[Si]1(OC(C)C)n2c3c4ccccc4c2/N=C2\N=C(/N=c4/c5ccccc5/c(n41)=N/C1=N/C(=N\3)c3ccccc31)c1ccccc12
InChIInChI=1S/C38H30N8O2Si/c1-21(2)47-49(48-22(3)4)45-35-27-17-9-10-18-28(27)37(45)43-33-25-15-7-8-16-26(25)34(40-33)44-38-30-20-12-11-19-29(30)36(46(38)49)42-32-24-14-6-5-13-23(24)31(39-32)41-35/h5-22H,1-4H3/b41-31-,41-35-,42-32-,42-36-,43-33-,43-37-,44-34-,44-38-
InChIKeyPRZBDRWKCXIOPB-FVMCGXLVSA-N
XLogP6.22
TPSA102.48 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.80
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene?
The IUPAC name of 38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene (CID 59317622) is 38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene.
What is the SMILES notation for 38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene?
The canonical SMILES for 38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene is CC(C)O[Si]1(OC(C)C)n2c3c4ccccc4c2/N=C2\N=C(/N=c4/c5ccccc5/c(n41)=N/C1=N/C(=N\3)c3ccccc31)c1ccccc12.
What is the InChIKey of 38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene?
The InChIKey is PRZBDRWKCXIOPB-FVMCGXLVSA-N. The full InChI is InChI=1S/C38H30N8O2Si/c1-21(2)47-49(48-22(3)4)45-35-27-17-9-10-18-28(27)37(45)43-33-25-15-7-8-16-26(25)34(40-33)44-38-30-20-12-11-19-29(30)36(46(38)49)42-32-24-14-6-5-13-23(24)31(39-32)41-35/h5-22H,1-4H3/b41-31-,41-35-,42-32-,42-36-,43-33-,43-37-,44-34-,44-38-.
What are the key properties of 38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene?
38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene has a molecular weight of 658.80 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 38,38-di(propan-2-yloxy)-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene is sourced from PubChem (CID 59317622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).