3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol

C11H25NO3SSi — CID 151540824

IUPAC3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol
SMILESCCO[Si]1(CCCS)OCCC(CC)CNO1
InChIInChI=1S/C11H25NO3SSi/c1-3-11-6-7-14-17(13-4-2,9-5-8-16)15-12-10-11/h11-12,16H,3-10H2,1-2H3
InChIKeyPYLCDSOGJJXLFA-UHFFFAOYSA-N
MW279.48 g/mol
LogP2.25
Rot. Bonds6

About 3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol

3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol (PubChem CID 151540824) has the molecular formula C11H25NO3SSi and a molecular weight of 279.48 g/mol. Its IUPAC name is 3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol.

Molecular Properties

Compound Name3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol
PubChem CID151540824
Molecular FormulaC11H25NO3SSi
Molecular Weight279.48 g/mol
Exact Mass279.13
IUPAC Name3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol
SMILESCCO[Si]1(CCCS)OCCC(CC)CNO1
InChIInChI=1S/C11H25NO3SSi/c1-3-11-6-7-14-17(13-4-2,9-5-8-16)15-12-10-11/h11-12,16H,3-10H2,1-2H3
InChIKeyPYLCDSOGJJXLFA-UHFFFAOYSA-N
XLogP2.25
TPSA39.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.48
LogP ≤ 52.25
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'}

Analyze 3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane
CID 150976550
3-[2-[2-(2-butoxyethoxy)ethoxy]-6-methyl-1,3,4,2-dioxazasilocan-2-yl]propane-1-thiol
CID 150814457
3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol
CID 151968282
3-(6-butyl-2-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol
CID 151930485
1-[2-[2-(2-butoxyethoxy)ethoxy]-6-methyl-1,3,4,2-dioxazasilocan-2-yl]decane-3-thiol
CID 150747400
O-[3-[4-methyl-2-[3-[[(2S)-4-methyl-2-(3-sulfanylpropyl)-1,3,2-dioxasilinan-2-yl]oxy]butoxy]-1,3,2-dioxasilinan-2-yl]propyl] undecanethioate
CID 91573003
S-[3-(2-hydroxy-6-pentadecyl-1,3,4,2-dioxazasilocan-2-yl)propyl] pentanethioate
CID 151450956
1-(2-ethyl-6-methyl-1,3,4,2-dioxazasilocan-2-yl)pentane-3-thiol
CID 150873792
S-[3-[2-[3-[(3-hydroxy-2-methylpropoxy)-methyl-(3-sulfanylpropyl)silyl]oxy-2-methylpropoxy]-5-methyl-1,3,2-dioxasilepan-2-yl]propyl] heptanethioate
CID 90712948
3-ethyloxolane
CID 10996972
2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane
CID 66846266
3-ethylazonane
CID 154533924

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol?
The IUPAC name of 3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol (CID 151540824) is 3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol.
What is the SMILES notation for 3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol?
The canonical SMILES for 3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol is CCO[Si]1(CCCS)OCCC(CC)CNO1.
What is the InChIKey of 3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol?
The InChIKey is PYLCDSOGJJXLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3SSi/c1-3-11-6-7-14-17(13-4-2,9-5-8-16)15-12-10-11/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol?
3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol has a molecular weight of 279.48 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol is sourced from PubChem (CID 151540824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).