S-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate

C25H34O4SSi — CID 162418667

IUPACS-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate
SMILESCCSC(=O)CC1CC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OO1
InChIInChI=1S/C25H34O4SSi/c1-5-30-24(26)19-21-18-20(28-29-21)16-17-27-31(25(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21H,5,16-19H2,1-4H3
InChIKeyJJZMGYMQVBSKTJ-UHFFFAOYSA-N
MW458.70 g/mol
LogP4.71
Rot. Bonds9

About S-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate

S-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate (PubChem CID 162418667) has the molecular formula C25H34O4SSi and a molecular weight of 458.70 g/mol. Its IUPAC name is S-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate.

Molecular Properties

Compound NameS-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate
PubChem CID162418667
Molecular FormulaC25H34O4SSi
Molecular Weight458.70 g/mol
Exact Mass458.19
IUPAC NameS-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate
SMILESCCSC(=O)CC1CC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OO1
InChIInChI=1S/C25H34O4SSi/c1-5-30-24(26)19-21-18-20(28-29-21)16-17-27-31(25(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21H,5,16-19H2,1-4H3
InChIKeyJJZMGYMQVBSKTJ-UHFFFAOYSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.70
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze S-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate 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

S-ethyl 2-[(2R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxooxan-2-yl]ethanethioate
CID 101771410
S-ethyl 2-[(2S,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-oxooxan-2-yl]ethanethioate
CID 134886760
S-ethyl 2-[(2S,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]ethanethioate
CID 134981807
(5S)-5-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]thiolan-2-one
CID 10623703
(5S)-5-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]thiolan-2-one
CID 10646783
(5R)-5-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]thiolan-2-one
CID 10789255
(5R)-5-[(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]thiolan-2-one
CID 10837538
S-ethyl 2-[(2R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-methylideneoxan-2-yl]ethanethioate
CID 11655982
S-decyl (3S,5S)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-3-methoxy-6,6-dimethylheptanethioate
CID 71659027
S-decyl (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxy-3-methoxy-6,6-dimethylheptanethioate
CID 71659028
(5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]thiolan-2-one
CID 101941635
(5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]thiolan-2-yl]thiolan-2-one
CID 101941638

Frequently Asked Questions

What is the IUPAC name of S-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate?
The IUPAC name of S-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate (CID 162418667) is S-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate.
What is the SMILES notation for S-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate?
The canonical SMILES for S-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate is CCSC(=O)CC1CC(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OO1.
What is the InChIKey of S-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate?
The InChIKey is JJZMGYMQVBSKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O4SSi/c1-5-30-24(26)19-21-18-20(28-29-21)16-17-27-31(25(2,3)4,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21H,5,16-19H2,1-4H3.
What are the key properties of S-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate?
S-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate has a molecular weight of 458.70 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethyl 2-[5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]dioxolan-3-yl]ethanethioate is sourced from PubChem (CID 162418667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).