3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane

C16H38O4S4Si2 — CID 54324429

IUPAC3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane
SMILESCCC(CC[Si](C)(OC)OC)SSSSC(CC)CC[Si](C)(OC)OC
InChIInChI=1S/C16H38O4S4Si2/c1-9-15(11-13-25(7,17-3)18-4)21-23-24-22-16(10-2)12-14-26(8,19-5)20-6/h15-16H,9-14H2,1-8H3
InChIKeySTXFZFDCJRTONJ-UHFFFAOYSA-N
MW478.92 g/mol
LogP6.73
Rot. Bonds17

About 3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane

3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane (PubChem CID 54324429) has the molecular formula C16H38O4S4Si2 and a molecular weight of 478.92 g/mol. Its IUPAC name is 3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane.

Molecular Properties

Compound Name3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane
PubChem CID54324429
Molecular FormulaC16H38O4S4Si2
Molecular Weight478.92 g/mol
Exact Mass478.12
IUPAC Name3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane
SMILESCCC(CC[Si](C)(OC)OC)SSSSC(CC)CC[Si](C)(OC)OC
InChIInChI=1S/C16H38O4S4Si2/c1-9-15(11-13-25(7,17-3)18-4)21-23-24-22-16(10-2)12-14-26(8,19-5)20-6/h15-16H,9-14H2,1-8H3
InChIKeySTXFZFDCJRTONJ-UHFFFAOYSA-N
XLogP6.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.92
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane?
The IUPAC name of 3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane (CID 54324429) is 3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane.
What is the SMILES notation for 3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane?
The canonical SMILES for 3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane is CCC(CC[Si](C)(OC)OC)SSSSC(CC)CC[Si](C)(OC)OC.
What is the InChIKey of 3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane?
The InChIKey is STXFZFDCJRTONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O4S4Si2/c1-9-15(11-13-25(7,17-3)18-4)21-23-24-22-16(10-2)12-14-26(8,19-5)20-6/h15-16H,9-14H2,1-8H3.
What are the key properties of 3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane?
3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane has a molecular weight of 478.92 g/mol, XLogP of 6.73, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[dimethoxy(methyl)silyl]pentan-3-yltetrasulfanyl]pentyl-dimethoxy-methylsilane is sourced from PubChem (CID 54324429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).