1,3-dithian-2-yl(trimethoxy)silane

C7H16O3S2Si — CID 22290037

IUPAC1,3-dithian-2-yl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C1SCCCS1
InChIInChI=1S/C7H16O3S2Si/c1-8-13(9-2,10-3)7-11-5-4-6-12-7/h7H,4-6H2,1-3H3
InChIKeyLDZVDJJZGGDBBK-UHFFFAOYSA-N
MW240.42 g/mol
LogP1.60
Rot. Bonds4

About 1,3-dithian-2-yl(trimethoxy)silane

1,3-dithian-2-yl(trimethoxy)silane (PubChem CID 22290037) has the molecular formula C7H16O3S2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 1,3-dithian-2-yl(trimethoxy)silane.

Molecular Properties

Compound Name1,3-dithian-2-yl(trimethoxy)silane
PubChem CID22290037
Molecular FormulaC7H16O3S2Si
Molecular Weight240.42 g/mol
Exact Mass240.03
IUPAC Name1,3-dithian-2-yl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C1SCCCS1
InChIInChI=1S/C7H16O3S2Si/c1-8-13(9-2,10-3)7-11-5-4-6-12-7/h7H,4-6H2,1-3H3
InChIKeyLDZVDJJZGGDBBK-UHFFFAOYSA-N
XLogP1.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,3-dithian-2-yl(trimethoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dithian-2-yl(trimethoxy)silane?
The IUPAC name of 1,3-dithian-2-yl(trimethoxy)silane (CID 22290037) is 1,3-dithian-2-yl(trimethoxy)silane.
What is the SMILES notation for 1,3-dithian-2-yl(trimethoxy)silane?
The canonical SMILES for 1,3-dithian-2-yl(trimethoxy)silane is CO[Si](OC)(OC)C1SCCCS1.
What is the InChIKey of 1,3-dithian-2-yl(trimethoxy)silane?
The InChIKey is LDZVDJJZGGDBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3S2Si/c1-8-13(9-2,10-3)7-11-5-4-6-12-7/h7H,4-6H2,1-3H3.
What are the key properties of 1,3-dithian-2-yl(trimethoxy)silane?
1,3-dithian-2-yl(trimethoxy)silane has a molecular weight of 240.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithian-2-yl(trimethoxy)silane is sourced from PubChem (CID 22290037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).