[2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane

C12H24S4Si — CID 5246606

IUPAC[2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane
SMILESC[Si](C)(C)C1(CC2SCCCS2)SCCCS1
InChIInChI=1S/C12H24S4Si/c1-17(2,3)12(15-8-5-9-16-12)10-11-13-6-4-7-14-11/h11H,4-10H2,1-3H3
InChIKeyPIGXNJWQNIAFQH-UHFFFAOYSA-N
MW324.68 g/mol
LogP5.02
Rot. Bonds3

About [2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane

[2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane (PubChem CID 5246606) has the molecular formula C12H24S4Si and a molecular weight of 324.68 g/mol. Its IUPAC name is [2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane
PubChem CID5246606
Molecular FormulaC12H24S4Si
Molecular Weight324.68 g/mol
Exact Mass324.05
IUPAC Name[2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane
SMILESC[Si](C)(C)C1(CC2SCCCS2)SCCCS1
InChIInChI=1S/C12H24S4Si/c1-17(2,3)12(15-8-5-9-16-12)10-11-13-6-4-7-14-11/h11H,4-10H2,1-3H3
InChIKeyPIGXNJWQNIAFQH-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.68
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane?
The IUPAC name of [2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane (CID 5246606) is [2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane.
What is the SMILES notation for [2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane?
The canonical SMILES for [2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane is C[Si](C)(C)C1(CC2SCCCS2)SCCCS1.
What is the InChIKey of [2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane?
The InChIKey is PIGXNJWQNIAFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S4Si/c1-17(2,3)12(15-8-5-9-16-12)10-11-13-6-4-7-14-11/h11H,4-10H2,1-3H3.
What are the key properties of [2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane?
[2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane has a molecular weight of 324.68 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dithian-2-ylmethyl)-1,3-dithian-2-yl]-trimethylsilane is sourced from PubChem (CID 5246606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).