[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

C88H166O18S24Si6 — CID 151364925

IUPAC[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
SMILESCCO[Si](OCC)(OCC)C1CC2CCC1(SSSSC(CCC(C)CC)(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)C(C)(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)C(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)C2
InChIInChI=1S/C88H166O18S24Si6/c1-22-67(20)41-54-87(114-126-121-109-82-49-43-69(62-82)56-75(82)132(92-26-5,93-27-6)94-28-7,115-127-122-110-83-50-44-70(63-83)57-76(83)133(95-29-8,96-30-9)97-31-10)80(21,107-119-120-108-81-48-42-68(61-81)55-74(81)131(89-23-2,90-24-3)91-25-4)88(116-128-123-111-84-51-45-71(64-84)58-77(84)134(98-32-11,99-33-12)100-34-13,117-129-124-112-85-52-46-72(65-85)59-78(85)135(101-35-14,102-36-15)103-37-16)118-130-125-113-86-53-47-73(66-86)60-79(86)136(104-38-17,105-39-18)106-40-19/h67-79H,22-66H2,1-21H3
InChIKeyOPFOWVPGLJUESC-UHFFFAOYSA-N
MW2450.40 g/mol
LogP35.16
Rot. Bonds78

About [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

[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 (PubChem CID 151364925) has the molecular formula C88H166O18S24Si6 and a molecular weight of 2450.40 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID151364925
Molecular FormulaC88H166O18S24Si6
Molecular Weight2450.40 g/mol
Exact Mass2446.40
IUPAC Name[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
SMILESCCO[Si](OCC)(OCC)C1CC2CCC1(SSSSC(CCC(C)CC)(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)C(C)(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)C(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)C2
InChIInChI=1S/C88H166O18S24Si6/c1-22-67(20)41-54-87(114-126-121-109-82-49-43-69(62-82)56-75(82)132(92-26-5,93-27-6)94-28-7,115-127-122-110-83-50-44-70(63-83)57-76(83)133(95-29-8,96-30-9)97-31-10)80(21,107-119-120-108-81-48-42-68(61-81)55-74(81)131(89-23-2,90-24-3)91-25-4)88(116-128-123-111-84-51-45-71(64-84)58-77(84)134(98-32-11,99-33-12)100-34-13,117-129-124-112-85-52-46-72(65-85)59-78(85)135(101-35-14,102-36-15)103-37-16)118-130-125-113-86-53-47-73(66-86)60-79(86)136(104-38-17,105-39-18)106-40-19/h67-79H,22-66H2,1-21H3
InChIKeyOPFOWVPGLJUESC-UHFFFAOYSA-N
XLogP35.16
TPSA166.14 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds78
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002450.40
LogP ≤ 535.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

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 [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 with MolForge

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Related Compounds

[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
[[2,6-dimethyl-1,1,1,2,3-pentakis(triethoxysilylmethyltetrasulfanyl)octan-3-yl]tetrasulfanyl]methyl-triethoxysilane
CID 22627780
triethoxy-[2-[[2,6,10,15,19,23-hexamethyl-1,1,1,2,3-pentakis[(2-triethoxysilyl-2-bicyclo[2.2.1]heptanyl)tetrasulfanyl]tetracosan-3-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]silane
CID 90977505
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
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
3-[[2,6-dimethyl-1,1,1,2-tetrakis(3-triethoxysilylpropyltetrasulfanyl)octan-3-yl]tetrasulfanyl]propyl-triethoxysilane
CID 22627753
4-methyl-1-triethoxysilylhexan-1-amine
CID 175249037
3,6,9-trimethylundecan-6-amine
CID 90972549
1,1-bis(triethoxysilylmethyltetrasulfanyl)ethoxy-[(2-cyclohexylethyltetrasulfanyl)methyl]-diethoxysilane
CID 141048417
[4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine
CID 65052867
2-(2-methylbutyl)-2-azabicyclo[2.2.1]heptane
CID 174261513
[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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCO[Si](OCC)(OCC)C1CC2CCC1(SSSSC(CCC(C)CC)(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)C(C)(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)C(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)(SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)SSSSC13CCC(CC1[Si](OCC)(OCC)OCC)C3)C2.
What is the InChIKey of [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?
The InChIKey is OPFOWVPGLJUESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H166O18S24Si6/c1-22-67(20)41-54-87(114-126-121-109-82-49-43-69(62-82)56-75(82)132(92-26-5,93-27-6)94-28-7,115-127-122-110-83-50-44-70(63-83)57-76(83)133(95-29-8,96-30-9)97-31-10)80(21,107-119-120-108-81-48-42-68(61-81)55-74(81)131(89-23-2,90-24-3)91-25-4)88(116-128-123-111-84-51-45-71(64-84)58-77(84)134(98-32-11,99-33-12)100-34-13,117-129-124-112-85-52-46-72(65-85)59-78(85)135(101-35-14,102-36-15)103-37-16)118-130-125-113-86-53-47-73(66-86)60-79(86)136(104-38-17,105-39-18)106-40-19/h67-79H,22-66H2,1-21H3.
What are the key properties of [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?
[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 has a molecular weight of 2450.40 g/mol, XLogP of 35.16, 78 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 151364925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).