6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione

C16H34N2O4SSi — CID 3735848

IUPAC6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione
SMILESCCO[Si](CCCN1C(=S)NC(C)(C)CC1(C)O)(OCC)OCC
InChIInChI=1S/C16H34N2O4SSi/c1-7-20-24(21-8-2,22-9-3)12-10-11-18-14(23)17-15(4,5)13-16(18,6)19/h19H,7-13H2,1-6H3,(H,17,23)
InChIKeyVCYUTHOYHUIKSP-UHFFFAOYSA-N
MW378.61 g/mol
LogP2.49
Rot. Bonds10

About 6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione

6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione (PubChem CID 3735848) has the molecular formula C16H34N2O4SSi and a molecular weight of 378.61 g/mol. Its IUPAC name is 6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione.

Molecular Properties

Compound Name6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione
PubChem CID3735848
Molecular FormulaC16H34N2O4SSi
Molecular Weight378.61 g/mol
Exact Mass378.20
IUPAC Name6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione
SMILESCCO[Si](CCCN1C(=S)NC(C)(C)CC1(C)O)(OCC)OCC
InChIInChI=1S/C16H34N2O4SSi/c1-7-20-24(21-8-2,22-9-3)12-10-11-18-14(23)17-15(4,5)13-16(18,6)19/h19H,7-13H2,1-6H3,(H,17,23)
InChIKeyVCYUTHOYHUIKSP-UHFFFAOYSA-N
XLogP2.49
TPSA63.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione?
The IUPAC name of 6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione (CID 3735848) is 6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione.
What is the SMILES notation for 6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione?
The canonical SMILES for 6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione is CCO[Si](CCCN1C(=S)NC(C)(C)CC1(C)O)(OCC)OCC.
What is the InChIKey of 6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione?
The InChIKey is VCYUTHOYHUIKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O4SSi/c1-7-20-24(21-8-2,22-9-3)12-10-11-18-14(23)17-15(4,5)13-16(18,6)19/h19H,7-13H2,1-6H3,(H,17,23).
What are the key properties of 6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione?
6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione has a molecular weight of 378.61 g/mol, XLogP of 2.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4,4,6-trimethyl-1-(3-triethoxysilylpropyl)-1,3-diazinane-2-thione is sourced from PubChem (CID 3735848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).