3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol

C8H18O3SSi — CID 151968282

IUPAC3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol
SMILESCCO[Si]1(CCCS)OCCCO1
InChIInChI=1S/C8H18O3SSi/c1-2-9-13(8-4-7-12)10-5-3-6-11-13/h12H,2-8H2,1H3
InChIKeyUADACZGQMLEDQB-UHFFFAOYSA-N
MW222.38 g/mol
LogP1.72
Rot. Bonds5

About 3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol

3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol (PubChem CID 151968282) has the molecular formula C8H18O3SSi and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol.

Molecular Properties

Compound Name3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol
PubChem CID151968282
Molecular FormulaC8H18O3SSi
Molecular Weight222.38 g/mol
Exact Mass222.07
IUPAC Name3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol
SMILESCCO[Si]1(CCCS)OCCCO1
InChIInChI=1S/C8H18O3SSi/c1-2-9-13(8-4-7-12)10-5-3-6-11-13/h12H,2-8H2,1H3
InChIKeyUADACZGQMLEDQB-UHFFFAOYSA-N
XLogP1.72
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxy-6-ethyl-1,3,4,2-dioxazasilocan-2-yl)propane-1-thiol
CID 151540824
3-[2-[2-(2-butoxyethoxy)ethoxy]-6-methyl-1,3,4,2-dioxazasilocan-2-yl]propane-1-thiol
CID 150814457
2-[2-[4-(chloromethyl)phenyl]ethyl]-2-ethoxy-1,3,2-dioxasilolane
CID 66846266
2-(3-bromopropyl)-2-ethoxy-6-methyl-1,3,4,2-dioxazasilocane
CID 150976550
3-[4-methyl-2-[2-[(4-methyl-2-pentyl-1,3,2-dioxasilolan-2-yl)oxy]propoxy]-1,3,2-dioxasilolan-2-yl]propane-1-thiol
CID 87093097
2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane
CID 66845956
2-ethoxy-1,3,2-dioxaphosphinane
CID 13143342
2,2-diethoxyoxasilirane
CID 140622651
2-butyl-2,4,6-triethoxy-1,3,5,2,4,6-trioxatrisilinane
CID 174544172
3-(2-methoxy-1,3,6,2-trioxasilocan-2-yl)-N,N-dimethylpropan-1-amine
CID 151097088
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
2,2-diethoxy-4,4-dimethyl-1,3,2-dioxasilinane
CID 13268656

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol?
The IUPAC name of 3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol (CID 151968282) is 3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol.
What is the SMILES notation for 3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol?
The canonical SMILES for 3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol is CCO[Si]1(CCCS)OCCCO1.
What is the InChIKey of 3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol?
The InChIKey is UADACZGQMLEDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3SSi/c1-2-9-13(8-4-7-12)10-5-3-6-11-13/h12H,2-8H2,1H3.
What are the key properties of 3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol?
3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol has a molecular weight of 222.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-1,3,2-dioxasilinan-2-yl)propane-1-thiol is sourced from PubChem (CID 151968282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).