(4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane

C26H42O6S4Si2 — CID 54323508

IUPAC(4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane
SMILESCCc1ccc(O[Si](CCCSSSSCCC[Si](OC)(OC)Oc2ccc(CC)cc2)(OC)OC)cc1
InChIInChI=1S/C26H42O6S4Si2/c1-7-23-11-15-25(16-12-23)31-37(27-3,28-4)21-9-19-33-35-36-34-20-10-22-38(29-5,30-6)32-26-17-13-24(8-2)14-18-26/h11-18H,7-10,19-22H2,1-6H3
InChIKeySTHIZSGHTHLKFP-UHFFFAOYSA-N
MW635.06 g/mol
LogP8.19
Rot. Bonds21

About (4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane

(4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane (PubChem CID 54323508) has the molecular formula C26H42O6S4Si2 and a molecular weight of 635.06 g/mol. Its IUPAC name is (4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane.

Molecular Properties

Compound Name(4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane
PubChem CID54323508
Molecular FormulaC26H42O6S4Si2
Molecular Weight635.06 g/mol
Exact Mass634.14
IUPAC Name(4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane
SMILESCCc1ccc(O[Si](CCCSSSSCCC[Si](OC)(OC)Oc2ccc(CC)cc2)(OC)OC)cc1
InChIInChI=1S/C26H42O6S4Si2/c1-7-23-11-15-25(16-12-23)31-37(27-3,28-4)21-9-19-33-35-36-34-20-10-22-38(29-5,30-6)32-26-17-13-24(8-2)14-18-26/h11-18H,7-10,19-22H2,1-6H3
InChIKeySTHIZSGHTHLKFP-UHFFFAOYSA-N
XLogP8.19
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.06
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane?
The IUPAC name of (4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane (CID 54323508) is (4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane.
What is the SMILES notation for (4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane?
The canonical SMILES for (4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane is CCc1ccc(O[Si](CCCSSSSCCC[Si](OC)(OC)Oc2ccc(CC)cc2)(OC)OC)cc1.
What is the InChIKey of (4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane?
The InChIKey is STHIZSGHTHLKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O6S4Si2/c1-7-23-11-15-25(16-12-23)31-37(27-3,28-4)21-9-19-33-35-36-34-20-10-22-38(29-5,30-6)32-26-17-13-24(8-2)14-18-26/h11-18H,7-10,19-22H2,1-6H3.
What are the key properties of (4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane?
(4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane has a molecular weight of 635.06 g/mol, XLogP of 8.19, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenoxy)-[3-[3-[(4-ethylphenoxy)-dimethoxysilyl]propyltetrasulfanyl]propyl]-dimethoxysilane is sourced from PubChem (CID 54323508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).