38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene

C88H130N8O6Si — CID 10510677

IUPAC38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene
SMILESCCCCCCCCCCCCCCOc1ccc2c(c1)C1=N/C2=N\c2c3cc(OCCCCCCCCCCCCCC)ccc3c3n2[Si](O)(O)n2/c(c4ccc(OCCCCCCCCCCCCCC)cc4/c2=N/C2=N/C(=N\3)c3cc(OCCCCCCCCCCCCCC)ccc32)=N\1
InChIInChI=1S/C88H130N8O6Si/c1-5-9-13-17-21-25-29-33-37-41-45-49-61-99-69-53-57-73-77(65-69)83-89-81(73)91-87-80-68-72(102-64-52-48-44-40-36-32-28-24-20-16-12-8-4)56-60-76(80)86-94-84-78-66-70(100-62-50-46-42-38-34-30-26-22-18-14-10-6-2)54-58-74(78)82(90-84)92-88-79-67-71(55-59-75(79)85(93-83)95(88)103(97,98)96(86)87)101-63-51-47-43-39-35-31-27-23-19-15-11-7-3/h53-60,65-68,97-98H,5-52,61-64H2,1-4H3/b91-81-,91-87-,92-82-,92-88-,93-83-,93-85-,94-84-,94-86-
InChIKeyRPPOEOKBFHXHME-UCSCDRPQSA-N
MW1424.14 g/mol
LogP23.68
Rot. Bonds56

About 38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene

38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene (PubChem CID 10510677) has the molecular formula C88H130N8O6Si and a molecular weight of 1424.14 g/mol. Its IUPAC name is 38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene.

Molecular Properties

Compound Name38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene
PubChem CID10510677
Molecular FormulaC88H130N8O6Si
Molecular Weight1424.14 g/mol
Exact Mass1422.99
IUPAC Name38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene
SMILESCCCCCCCCCCCCCCOc1ccc2c(c1)C1=N/C2=N\c2c3cc(OCCCCCCCCCCCCCC)ccc3c3n2[Si](O)(O)n2/c(c4ccc(OCCCCCCCCCCCCCC)cc4/c2=N/C2=N/C(=N\3)c3cc(OCCCCCCCCCCCCCC)ccc32)=N\1
InChIInChI=1S/C88H130N8O6Si/c1-5-9-13-17-21-25-29-33-37-41-45-49-61-99-69-53-57-73-77(65-69)83-89-81(73)91-87-80-68-72(102-64-52-48-44-40-36-32-28-24-20-16-12-8-4)56-60-76(80)86-94-84-78-66-70(100-62-50-46-42-38-34-30-26-22-18-14-10-6-2)54-58-74(78)82(90-84)92-88-79-67-71(55-59-75(79)85(93-83)95(88)103(97,98)96(86)87)101-63-51-47-43-39-35-31-27-23-19-15-11-7-3/h53-60,65-68,97-98H,5-52,61-64H2,1-4H3/b91-81-,91-87-,92-82-,92-88-,93-83-,93-85-,94-84-,94-86-
InChIKeyRPPOEOKBFHXHME-UCSCDRPQSA-N
XLogP23.68
TPSA161.40 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds56
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001424.14
LogP ≤ 523.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene?
The IUPAC name of 38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene (CID 10510677) is 38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene.
What is the SMILES notation for 38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene?
The canonical SMILES for 38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene is CCCCCCCCCCCCCCOc1ccc2c(c1)C1=N/C2=N\c2c3cc(OCCCCCCCCCCCCCC)ccc3c3n2[Si](O)(O)n2/c(c4ccc(OCCCCCCCCCCCCCC)cc4/c2=N/C2=N/C(=N\3)c3cc(OCCCCCCCCCCCCCC)ccc32)=N\1.
What is the InChIKey of 38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene?
The InChIKey is RPPOEOKBFHXHME-UCSCDRPQSA-N. The full InChI is InChI=1S/C88H130N8O6Si/c1-5-9-13-17-21-25-29-33-37-41-45-49-61-99-69-53-57-73-77(65-69)83-89-81(73)91-87-80-68-72(102-64-52-48-44-40-36-32-28-24-20-16-12-8-4)56-60-76(80)86-94-84-78-66-70(100-62-50-46-42-38-34-30-26-22-18-14-10-6-2)54-58-74(78)82(90-84)92-88-79-67-71(55-59-75(79)85(93-83)95(88)103(97,98)96(86)87)101-63-51-47-43-39-35-31-27-23-19-15-11-7-3/h53-60,65-68,97-98H,5-52,61-64H2,1-4H3/b91-81-,91-87-,92-82-,92-88-,93-83-,93-85-,94-84-,94-86-.
What are the key properties of 38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene?
38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene has a molecular weight of 1424.14 g/mol, XLogP of 23.68, 56 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 38,38-dihydroxy-4,13,22,31-tetra(tetradecoxy)-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(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene is sourced from PubChem (CID 10510677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).