triethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane

C77H144O15S20Si5 — CID 152571486

IUPACtriethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane
SMILESCCO[Si](OCC)(OCC)C1CC2CCC1(SSSSC1CCCCCCCCCC(SSSSC34CCC(CC3[Si](OCC)(OCC)OCC)C4)(SSSSC34CCC(CC3[Si](OCC)(OCC)OCC)C4)C1(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)C2
InChIInChI=1S/C77H144O15S20Si5/c1-16-78-113(79-17-2,80-18-3)66-50-60-39-45-71(66,55-60)94-104-103-93-65-38-36-34-32-31-33-35-37-44-76(99-109-105-95-72-46-40-61(56-72)51-67(72)114(81-19-4,82-20-5)83-21-6,100-110-106-96-73-47-41-62(57-73)52-68(73)115(84-22-7,85-23-8)86-24-9)77(65,101-111-107-97-74-48-42-63(58-74)53-69(74)116(87-25-10,88-26-11)89-27-12)102-112-108-98-75-49-43-64(59-75)54-70(75)117(90-28-13,91-29-14)92-30-15/h60-70H,16-59H2,1-15H3
InChIKeyYROLJJQTRYMVHX-UHFFFAOYSA-N
MW2091.75 g/mol
LogP30.47
Rot. Bonds60

About triethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane

triethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane (PubChem CID 152571486) has the molecular formula C77H144O15S20Si5 and a molecular weight of 2091.75 g/mol. Its IUPAC name is triethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane.

Molecular Properties

Compound Nametriethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane
PubChem CID152571486
Molecular FormulaC77H144O15S20Si5
Molecular Weight2091.75 g/mol
Exact Mass2088.38
IUPAC Nametriethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane
SMILESCCO[Si](OCC)(OCC)C1CC2CCC1(SSSSC1CCCCCCCCCC(SSSSC34CCC(CC3[Si](OCC)(OCC)OCC)C4)(SSSSC34CCC(CC3[Si](OCC)(OCC)OCC)C4)C1(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)C2
InChIInChI=1S/C77H144O15S20Si5/c1-16-78-113(79-17-2,80-18-3)66-50-60-39-45-71(66,55-60)94-104-103-93-65-38-36-34-32-31-33-35-37-44-76(99-109-105-95-72-46-40-61(56-72)51-67(72)114(81-19-4,82-20-5)83-21-6,100-110-106-96-73-47-41-62(57-73)52-68(73)115(84-22-7,85-23-8)86-24-9)77(65,101-111-107-97-74-48-42-63(58-74)53-69(74)116(87-25-10,88-26-11)89-27-12)102-112-108-98-75-49-43-64(59-75)54-70(75)117(90-28-13,91-29-14)92-30-15/h60-70H,16-59H2,1-15H3
InChIKeyYROLJJQTRYMVHX-UHFFFAOYSA-N
XLogP30.47
TPSA138.45 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds60
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002091.75
LogP ≤ 530.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze triethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane with MolForge

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Related Compounds

1-bicyclo[2.2.1]heptanyl-[2-(2-cyclohexylethyltetrasulfanyl)-2,2-bis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]ethoxy]-diethoxysilane
CID 151943364
[1-[[2,6-dimethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]octan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]-triethoxysilane
CID 151364925
[1-[[2,6-dimethyl-1,1,1-tris[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]octan-2-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]-triethoxysilane
CID 151883878
[2-[[1,2-bis[(1-ethyl-2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-1-ethyl-2-bicyclo[2.2.1]heptanyl]-triethoxysilane
CID 91235876
(propyldisulfanyl)-[1,2,2,3-tetrakis[[(propyldisulfanyl)-triethoxysilylsulfonio]sulfanyl]cyclododecyl]sulfanyl-triethoxysilylsulfanium
CID 172856223
cyclohexyl(triethoxy)silane
CID 15653995
8-bicyclo[5.1.0]octanyl(triethoxy)silane
CID 67644159
ethyl 2-methylbicyclo[2.2.1]heptane-1-carboxylate
CID 154478235
triethoxy-[(1S,2S)-2-methylcyclopropyl]silane
CID 102422600
1-ethoxybicyclo[10.1.0]tridecane
CID 154110609
triethoxy-(2-methylcyclopentyl)silane
CID 59910277
cyclohexanamine;triethoxy(methyl)silane
CID 67005421

Frequently Asked Questions

What is the IUPAC name of triethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane?
The IUPAC name of triethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane (CID 152571486) is triethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane.
What is the SMILES notation for triethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane?
The canonical SMILES for triethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane is CCO[Si](OCC)(OCC)C1CC2CCC1(SSSSC1CCCCCCCCCC(SSSSC34CCC(CC3[Si](OCC)(OCC)OCC)C4)(SSSSC34CCC(CC3[Si](OCC)(OCC)OCC)C4)C1(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)C2.
What is the InChIKey of triethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane?
The InChIKey is YROLJJQTRYMVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H144O15S20Si5/c1-16-78-113(79-17-2,80-18-3)66-50-60-39-45-71(66,55-60)94-104-103-93-65-38-36-34-32-31-33-35-37-44-76(99-109-105-95-72-46-40-61(56-72)51-67(72)114(81-19-4,82-20-5)83-21-6,100-110-106-96-73-47-41-62(57-73)52-68(73)115(84-22-7,85-23-8)86-24-9)77(65,101-111-107-97-74-48-42-63(58-74)53-69(74)116(87-25-10,88-26-11)89-27-12)102-112-108-98-75-49-43-64(59-75)54-70(75)117(90-28-13,91-29-14)92-30-15/h60-70H,16-59H2,1-15H3.
What are the key properties of triethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane?
triethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane has a molecular weight of 2091.75 g/mol, XLogP of 30.47, 60 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[1-[[1,2,2,3-tetrakis[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]cyclododecyl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane is sourced from PubChem (CID 152571486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).