1-tripropoxysilylpropane-1,3-dithiol

C12H28O3S2Si — CID 22227249

IUPAC1-tripropoxysilylpropane-1,3-dithiol
SMILESCCCO[Si](OCCC)(OCCC)C(S)CCS
InChIInChI=1S/C12H28O3S2Si/c1-4-8-13-18(14-9-5-2,15-10-6-3)12(17)7-11-16/h12,16-17H,4-11H2,1-3H3
InChIKeyVVEUDNJMWFRBBX-UHFFFAOYSA-N
MW312.57 g/mol
LogP3.36
Rot. Bonds12

About 1-tripropoxysilylpropane-1,3-dithiol

1-tripropoxysilylpropane-1,3-dithiol (PubChem CID 22227249) has the molecular formula C12H28O3S2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is 1-tripropoxysilylpropane-1,3-dithiol.

Molecular Properties

Compound Name1-tripropoxysilylpropane-1,3-dithiol
PubChem CID22227249
Molecular FormulaC12H28O3S2Si
Molecular Weight312.57 g/mol
Exact Mass312.12
IUPAC Name1-tripropoxysilylpropane-1,3-dithiol
SMILESCCCO[Si](OCCC)(OCCC)C(S)CCS
InChIInChI=1S/C12H28O3S2Si/c1-4-8-13-18(14-9-5-2,15-10-6-3)12(17)7-11-16/h12,16-17H,4-11H2,1-3H3
InChIKeyVVEUDNJMWFRBBX-UHFFFAOYSA-N
XLogP3.36
TPSA27.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tripropoxysilylpropane-1,3-dithiol?
The IUPAC name of 1-tripropoxysilylpropane-1,3-dithiol (CID 22227249) is 1-tripropoxysilylpropane-1,3-dithiol.
What is the SMILES notation for 1-tripropoxysilylpropane-1,3-dithiol?
The canonical SMILES for 1-tripropoxysilylpropane-1,3-dithiol is CCCO[Si](OCCC)(OCCC)C(S)CCS.
What is the InChIKey of 1-tripropoxysilylpropane-1,3-dithiol?
The InChIKey is VVEUDNJMWFRBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O3S2Si/c1-4-8-13-18(14-9-5-2,15-10-6-3)12(17)7-11-16/h12,16-17H,4-11H2,1-3H3.
What are the key properties of 1-tripropoxysilylpropane-1,3-dithiol?
1-tripropoxysilylpropane-1,3-dithiol has a molecular weight of 312.57 g/mol, XLogP of 3.36, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tripropoxysilylpropane-1,3-dithiol is sourced from PubChem (CID 22227249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).