(2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane

C19H38O3S4Si — CID 174450081

IUPAC(2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane
SMILESC1CCCCC1.CCO[Si](OCC)(OCC)SSSSC1CC2CCC1C2
InChIInChI=1S/C13H26O3S4Si.C6H12/c1-4-14-21(15-5-2,16-6-3)20-19-18-17-13-10-11-7-8-12(13)9-11;1-2-4-6-5-3-1/h11-13H,4-10H2,1-3H3;1-6H2
InChIKeyZJAGIOJNCSUFIB-UHFFFAOYSA-N
MW470.86 g/mol
LogP7.74
Rot. Bonds11

About (2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane

(2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane (PubChem CID 174450081) has the molecular formula C19H38O3S4Si and a molecular weight of 470.86 g/mol. Its IUPAC name is (2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane.

Molecular Properties

Compound Name(2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane
PubChem CID174450081
Molecular FormulaC19H38O3S4Si
Molecular Weight470.86 g/mol
Exact Mass470.15
IUPAC Name(2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane
SMILESC1CCCCC1.CCO[Si](OCC)(OCC)SSSSC1CC2CCC1C2
InChIInChI=1S/C13H26O3S4Si.C6H12/c1-4-14-21(15-5-2,16-6-3)20-19-18-17-13-10-11-7-8-12(13)9-11;1-2-4-6-5-3-1/h11-13H,4-10H2,1-3H3;1-6H2
InChIKeyZJAGIOJNCSUFIB-UHFFFAOYSA-N
XLogP7.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.86
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

triethoxy-(methyltetrasulfanyl)silane
CID 174450070
2-bicyclo[2.2.1]heptanyl-[[diethoxy(methyl)silyl]methyl]-ethoxy-methylsilane
CID 140798694
4-(2-bicyclo[2.2.1]heptanyl)butyl-triethoxysilane
CID 90386606
[3-(2-bicyclo[2.2.1]heptanyl)-2-bicyclo[2.2.1]heptanyl]-triethoxysilane
CID 90107245
2-(2-bicyclo[2.2.1]heptanylsulfanyl)-2-methylpropan-1-ol
CID 130708735
bis(2-bicyclo[2.2.1]heptanylsulfanyl)methanethione
CID 87474944
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
2-nitrososulfanylbicyclo[2.2.1]heptane
CID 162522476
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
(2S)-2-methylbicyclo[2.2.1]heptane;propane
CID 157354285
2-bicyclo[2.2.1]heptanylmethoxy-ethenyl-dimethylsilane
CID 69411602
N-(3-ethoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 61308200

Frequently Asked Questions

What is the IUPAC name of (2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane?
The IUPAC name of (2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane (CID 174450081) is (2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane.
What is the SMILES notation for (2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane?
The canonical SMILES for (2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane is C1CCCCC1.CCO[Si](OCC)(OCC)SSSSC1CC2CCC1C2.
What is the InChIKey of (2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane?
The InChIKey is ZJAGIOJNCSUFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3S4Si.C6H12/c1-4-14-21(15-5-2,16-6-3)20-19-18-17-13-10-11-7-8-12(13)9-11;1-2-4-6-5-3-1/h11-13H,4-10H2,1-3H3;1-6H2.
What are the key properties of (2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane?
(2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane has a molecular weight of 470.86 g/mol, XLogP of 7.74, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bicyclo[2.2.1]heptanyltetrasulfanyl)-triethoxysilane;cyclohexane is sourced from PubChem (CID 174450081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).