4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane

C9H18OS2Si — CID 12616820

IUPAC4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane
SMILESC=C(C=C(SC)SC)O[Si](C)(C)C
InChIInChI=1S/C9H18OS2Si/c1-8(10-13(4,5)6)7-9(11-2)12-3/h7H,1H2,2-6H3
InChIKeyYHBIHFLYEDXSHC-UHFFFAOYSA-N
MW234.46 g/mol
LogP3.92
Rot. Bonds5

About 4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane

4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane (PubChem CID 12616820) has the molecular formula C9H18OS2Si and a molecular weight of 234.46 g/mol. Its IUPAC name is 4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane.

Molecular Properties

Compound Name4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane
PubChem CID12616820
Molecular FormulaC9H18OS2Si
Molecular Weight234.46 g/mol
Exact Mass234.06
IUPAC Name4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane
SMILESC=C(C=C(SC)SC)O[Si](C)(C)C
InChIInChI=1S/C9H18OS2Si/c1-8(10-13(4,5)6)7-9(11-2)12-3/h7H,1H2,2-6H3
InChIKeyYHBIHFLYEDXSHC-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane?
The IUPAC name of 4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane (CID 12616820) is 4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane.
What is the SMILES notation for 4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane?
The canonical SMILES for 4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane is C=C(C=C(SC)SC)O[Si](C)(C)C.
What is the InChIKey of 4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane?
The InChIKey is YHBIHFLYEDXSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS2Si/c1-8(10-13(4,5)6)7-9(11-2)12-3/h7H,1H2,2-6H3.
What are the key properties of 4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane?
4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane has a molecular weight of 234.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(methylsulfanyl)buta-1,3-dien-2-yloxy-trimethylsilane is sourced from PubChem (CID 12616820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).