[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

C62H118O12S16Si4 — CID 151883878

IUPAC[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
SMILESCCO[Si](OCC)(OCC)C1CC2CCC1(SSSSC(C)(CCCC(C)CC)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/C62H118O12S16Si4/c1-16-48(14)30-29-35-57(15,75-83-84-76-58-36-31-49(44-58)40-53(58)91(63-17-2,64-18-3)65-19-4)62(80-88-85-77-59-37-32-50(45-59)41-54(59)92(66-20-5,67-21-6)68-22-7,81-89-86-78-60-38-33-51(46-60)42-55(60)93(69-23-8,70-24-9)71-25-10)82-90-87-79-61-39-34-52(47-61)43-56(61)94(72-26-11,73-27-12)74-28-13/h48-56H,16-47H2,1-15H3
InChIKeySPHHETHKWJWGGV-UHFFFAOYSA-N
MW1681.03 g/mol
LogP24.77
Rot. Bonds54

About [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

[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 (PubChem CID 151883878) has the molecular formula C62H118O12S16Si4 and a molecular weight of 1681.03 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID151883878
Molecular FormulaC62H118O12S16Si4
Molecular Weight1681.03 g/mol
Exact Mass1678.32
IUPAC Name[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
SMILESCCO[Si](OCC)(OCC)C1CC2CCC1(SSSSC(C)(CCCC(C)CC)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/C62H118O12S16Si4/c1-16-48(14)30-29-35-57(15,75-83-84-76-58-36-31-49(44-58)40-53(58)91(63-17-2,64-18-3)65-19-4)62(80-88-85-77-59-37-32-50(45-59)41-54(59)92(66-20-5,67-21-6)68-22-7,81-89-86-78-60-38-33-51(46-60)42-55(60)93(69-23-8,70-24-9)71-25-10)82-90-87-79-61-39-34-52(47-61)43-56(61)94(72-26-11,73-27-12)74-28-13/h48-56H,16-47H2,1-15H3
InChIKeySPHHETHKWJWGGV-UHFFFAOYSA-N
XLogP24.77
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds54
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001681.03
LogP ≤ 524.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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-tris[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]octan-2-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]-triethoxysilane with MolForge

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Related Compounds

[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-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
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
[[2,6-dimethyl-1,1,1,2,3-pentakis(triethoxysilylmethyltetrasulfanyl)octan-3-yl]tetrasulfanyl]methyl-triethoxysilane
CID 22627780
3-[[2,6-dimethyl-1,1,1,2-tetrakis(3-triethoxysilylpropyltetrasulfanyl)octan-3-yl]tetrasulfanyl]propyl-triethoxysilane
CID 22627753
2,2,6-trimethyloctane
CID 522006
[4-tert-butyl-1-(2-methylbutoxy)cyclohexyl]methanamine
CID 65052867
4-methyl-1-triethoxysilylhexan-1-amine
CID 175249037
3-methoxy-3,7-dimethylnonane
CID 118351298
(6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane
CID 123601549
tert-butyl-dimethyl-(13-methylpentadecoxy)silane
CID 6430276

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CCO[Si](OCC)(OCC)C1CC2CCC1(SSSSC(C)(CCCC(C)CC)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-tris[(2-triethoxysilyl-1-bicyclo[2.2.1]heptanyl)tetrasulfanyl]octan-2-yl]tetrasulfanyl]-2-bicyclo[2.2.1]heptanyl]-triethoxysilane?
The InChIKey is SPHHETHKWJWGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H118O12S16Si4/c1-16-48(14)30-29-35-57(15,75-83-84-76-58-36-31-49(44-58)40-53(58)91(63-17-2,64-18-3)65-19-4)62(80-88-85-77-59-37-32-50(45-59)41-54(59)92(66-20-5,67-21-6)68-22-7,81-89-86-78-60-38-33-51(46-60)42-55(60)93(69-23-8,70-24-9)71-25-10)82-90-87-79-61-39-34-52(47-61)43-56(61)94(72-26-11,73-27-12)74-28-13/h48-56H,16-47H2,1-15H3.
What are the key properties of [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?
[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 has a molecular weight of 1681.03 g/mol, XLogP of 24.77, 54 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 151883878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).