2-(1,3-dithian-2-yl)ethyl-trimethoxysilane

C9H20O3S2Si — CID 12070525

IUPAC2-(1,3-dithian-2-yl)ethyl-trimethoxysilane
SMILESCO[Si](CCC1SCCCS1)(OC)OC
InChIInChI=1S/C9H20O3S2Si/c1-10-15(11-2,12-3)8-5-9-13-6-4-7-14-9/h9H,4-8H2,1-3H3
InChIKeyUXJMJZIKAJNQGL-UHFFFAOYSA-N
MW268.48 g/mol
LogP2.45
Rot. Bonds6

About 2-(1,3-dithian-2-yl)ethyl-trimethoxysilane

2-(1,3-dithian-2-yl)ethyl-trimethoxysilane (PubChem CID 12070525) has the molecular formula C9H20O3S2Si and a molecular weight of 268.48 g/mol. Its IUPAC name is 2-(1,3-dithian-2-yl)ethyl-trimethoxysilane.

Molecular Properties

Compound Name2-(1,3-dithian-2-yl)ethyl-trimethoxysilane
PubChem CID12070525
Molecular FormulaC9H20O3S2Si
Molecular Weight268.48 g/mol
Exact Mass268.06
IUPAC Name2-(1,3-dithian-2-yl)ethyl-trimethoxysilane
SMILESCO[Si](CCC1SCCCS1)(OC)OC
InChIInChI=1S/C9H20O3S2Si/c1-10-15(11-2,12-3)8-5-9-13-6-4-7-14-9/h9H,4-8H2,1-3H3
InChIKeyUXJMJZIKAJNQGL-UHFFFAOYSA-N
XLogP2.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.48
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(Ethylsulfanyl)propyl](trimethoxy)silane
CID 12484752
Tert-butyl-(1,3-dithian-2-yloxy)-dimethylsilane
CID 134896016
3-(1,3-Dithian-2-yl)propoxy-triethylsilane
CID 11220075
2-(1,3-Dithian-2-yl)ethoxy-tri(propan-2-yl)silane
CID 11359125
2-(2-Trimethoxysilylethyl)-1,3-dithiolane
CID 12070523
2-(1,3-Dithiolan-2-yl)ethyl-dimethoxy-methylsilane
CID 12070524
Trimethoxy(2-propylsulfanylethyl)silane
CID 12484754
3-Butylsulfanylpropyl(trimethoxy)silane
CID 12484758
1-Ethylsulfanylpropyl(trimethoxy)silane
CID 21412054
1,3-Dithian-2-yl(trimethoxy)silane
CID 22290037
Trimethoxy(3-propylsulfanylpropyl)silane
CID 23261384
CID 58300819
CID 58300819

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithian-2-yl)ethyl-trimethoxysilane?
The IUPAC name of 2-(1,3-dithian-2-yl)ethyl-trimethoxysilane (CID 12070525) is 2-(1,3-dithian-2-yl)ethyl-trimethoxysilane.
What is the SMILES notation for 2-(1,3-dithian-2-yl)ethyl-trimethoxysilane?
The canonical SMILES for 2-(1,3-dithian-2-yl)ethyl-trimethoxysilane is CO[Si](CCC1SCCCS1)(OC)OC.
What is the InChIKey of 2-(1,3-dithian-2-yl)ethyl-trimethoxysilane?
The InChIKey is UXJMJZIKAJNQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S2Si/c1-10-15(11-2,12-3)8-5-9-13-6-4-7-14-9/h9H,4-8H2,1-3H3.
What are the key properties of 2-(1,3-dithian-2-yl)ethyl-trimethoxysilane?
2-(1,3-dithian-2-yl)ethyl-trimethoxysilane has a molecular weight of 268.48 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithian-2-yl)ethyl-trimethoxysilane is sourced from PubChem (CID 12070525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).