2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol

C9H20OS2Si — CID 14508434

IUPAC2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol
SMILESC[Si](C)(C)C1(CCO)SCCCS1
InChIInChI=1S/C9H20OS2Si/c1-13(2,3)9(5-6-10)11-7-4-8-12-9/h10H,4-8H2,1-3H3
InChIKeySHAAIBWOHUDRFJ-UHFFFAOYSA-N
MW236.48 g/mol
LogP2.81
Rot. Bonds3

About 2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol

2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol (PubChem CID 14508434) has the molecular formula C9H20OS2Si and a molecular weight of 236.48 g/mol. Its IUPAC name is 2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol
PubChem CID14508434
Molecular FormulaC9H20OS2Si
Molecular Weight236.48 g/mol
Exact Mass236.07
IUPAC Name2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol
SMILESC[Si](C)(C)C1(CCO)SCCCS1
InChIInChI=1S/C9H20OS2Si/c1-13(2,3)9(5-6-10)11-7-4-8-12-9/h10H,4-8H2,1-3H3
InChIKeySHAAIBWOHUDRFJ-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol?
The IUPAC name of 2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol (CID 14508434) is 2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol.
What is the SMILES notation for 2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol?
The canonical SMILES for 2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol is C[Si](C)(C)C1(CCO)SCCCS1.
What is the InChIKey of 2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol?
The InChIKey is SHAAIBWOHUDRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OS2Si/c1-13(2,3)9(5-6-10)11-7-4-8-12-9/h10H,4-8H2,1-3H3.
What are the key properties of 2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol?
2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol has a molecular weight of 236.48 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trimethylsilyl-1,3-dithian-2-yl)ethanol is sourced from PubChem (CID 14508434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).