O-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate

C18H38O3SSi — CID 154100619

IUPACO-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate
SMILESCCCCCCCC(=S)OCCC(OCCCOCC)[SiH](C)C
InChIInChI=1S/C18H38O3SSi/c1-5-7-8-9-10-12-17(22)20-16-13-18(23(3)4)21-15-11-14-19-6-2/h18,23H,5-16H2,1-4H3
InChIKeyHLDAGAHJDVCZQG-UHFFFAOYSA-N
MW362.65 g/mol
LogP4.92
Rot. Bonds16

About O-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate

O-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate (PubChem CID 154100619) has the molecular formula C18H38O3SSi and a molecular weight of 362.65 g/mol. Its IUPAC name is O-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate.

Molecular Properties

Compound NameO-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate
PubChem CID154100619
Molecular FormulaC18H38O3SSi
Molecular Weight362.65 g/mol
Exact Mass362.23
IUPAC NameO-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate
SMILESCCCCCCCC(=S)OCCC(OCCCOCC)[SiH](C)C
InChIInChI=1S/C18H38O3SSi/c1-5-7-8-9-10-12-17(22)20-16-13-18(23(3)4)21-15-11-14-19-6-2/h18,23H,5-16H2,1-4H3
InChIKeyHLDAGAHJDVCZQG-UHFFFAOYSA-N
XLogP4.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

O-dodecyl heptanethioate
CID 140990759
O-ethyl nonanethioate
CID 54419775
O-propyl hexanethioate
CID 139806160
O-[2-[2,3-bis(2-heptanethioyloxyethoxy)propoxy]ethyl] heptanethioate
CID 54287553
O-heptadecyl pentanethioate
CID 139806129
O-(3-triethoxysilylpropyl) octadecanethioate
CID 87778386
1-(3-ethoxypropoxy)tetradecane
CID 91693148
1-ethoxynonan-4-amine
CID 105129941
O-[3-heptadecanethioyloxy-2,2-bis(heptadecanethioyloxymethyl)propyl] heptadecanethioate
CID 19990199
[1-butoxy-4-[(4-butoxy-4-dimethylsilylbutyl)disulfanyl]butyl]-dimethylsilane
CID 158376151
O-[2,3-di(hexadecanethioyloxy)propyl] hexadecanethioate
CID 11766104
octyl 18-ethoxyoctadecanoate
CID 88843598

Frequently Asked Questions

What is the IUPAC name of O-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate?
The IUPAC name of O-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate (CID 154100619) is O-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate.
What is the SMILES notation for O-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate?
The canonical SMILES for O-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate is CCCCCCCC(=S)OCCC(OCCCOCC)[SiH](C)C.
What is the InChIKey of O-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate?
The InChIKey is HLDAGAHJDVCZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3SSi/c1-5-7-8-9-10-12-17(22)20-16-13-18(23(3)4)21-15-11-14-19-6-2/h18,23H,5-16H2,1-4H3.
What are the key properties of O-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate?
O-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate has a molecular weight of 362.65 g/mol, XLogP of 4.92, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-dimethylsilyl-3-(3-ethoxypropoxy)propyl] octanethioate is sourced from PubChem (CID 154100619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).