[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane

C9H18O2S2Si — CID 10901075

IUPAC[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane
SMILESCCOC(O[Si](C)(C)C)=C1SCCS1
InChIInChI=1S/C9H18O2S2Si/c1-5-10-8(11-14(2,3)4)9-12-6-7-13-9/h5-7H2,1-4H3
InChIKeyWGHZYIZJPQIGPS-UHFFFAOYSA-N
MW250.46 g/mol
LogP3.48
Rot. Bonds4

About [1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane

[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane (PubChem CID 10901075) has the molecular formula C9H18O2S2Si and a molecular weight of 250.46 g/mol. Its IUPAC name is [1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane.

Molecular Properties

Compound Name[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane
PubChem CID10901075
Molecular FormulaC9H18O2S2Si
Molecular Weight250.46 g/mol
Exact Mass250.05
IUPAC Name[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane
SMILESCCOC(O[Si](C)(C)C)=C1SCCS1
InChIInChI=1S/C9H18O2S2Si/c1-5-10-8(11-14(2,3)4)9-12-6-7-13-9/h5-7H2,1-4H3
InChIKeyWGHZYIZJPQIGPS-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane?
The IUPAC name of [1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane (CID 10901075) is [1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane.
What is the SMILES notation for [1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane?
The canonical SMILES for [1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane is CCOC(O[Si](C)(C)C)=C1SCCS1.
What is the InChIKey of [1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane?
The InChIKey is WGHZYIZJPQIGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S2Si/c1-5-10-8(11-14(2,3)4)9-12-6-7-13-9/h5-7H2,1-4H3.
What are the key properties of [1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane?
[1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane has a molecular weight of 250.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dithiolan-2-ylidene(ethoxy)methoxy]-trimethylsilane is sourced from PubChem (CID 10901075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).