1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea

C14H30N2OSSi — CID 10828242

IUPAC1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea
SMILESC=COCCNC(=S)NCCC[Si](CC)(CC)CC
InChIInChI=1S/C14H30N2OSSi/c1-5-17-12-11-16-14(18)15-10-9-13-19(6-2,7-3)8-4/h5H,1,6-13H2,2-4H3,(H2,15,16,18)
InChIKeyVMDLGBCRUXGTKY-UHFFFAOYSA-N
MW302.56 g/mol
LogP3.51
Rot. Bonds11

About 1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea

1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea (PubChem CID 10828242) has the molecular formula C14H30N2OSSi and a molecular weight of 302.56 g/mol. Its IUPAC name is 1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea.

Molecular Properties

Compound Name1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea
PubChem CID10828242
Molecular FormulaC14H30N2OSSi
Molecular Weight302.56 g/mol
Exact Mass302.18
IUPAC Name1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea
SMILESC=COCCNC(=S)NCCC[Si](CC)(CC)CC
InChIInChI=1S/C14H30N2OSSi/c1-5-17-12-11-16-14(18)15-10-9-13-19(6-2,7-3)8-4/h5H,1,6-13H2,2-4H3,(H2,15,16,18)
InChIKeyVMDLGBCRUXGTKY-UHFFFAOYSA-N
XLogP3.51
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea?
The IUPAC name of 1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea (CID 10828242) is 1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea.
What is the SMILES notation for 1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea?
The canonical SMILES for 1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea is C=COCCNC(=S)NCCC[Si](CC)(CC)CC.
What is the InChIKey of 1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea?
The InChIKey is VMDLGBCRUXGTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2OSSi/c1-5-17-12-11-16-14(18)15-10-9-13-19(6-2,7-3)8-4/h5H,1,6-13H2,2-4H3,(H2,15,16,18).
What are the key properties of 1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea?
1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea has a molecular weight of 302.56 g/mol, XLogP of 3.51, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethyl)-3-(3-triethylsilylpropyl)thiourea is sourced from PubChem (CID 10828242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).