[2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane

C24H34O2S2Si — CID 10366316

IUPAC[2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane
SMILESCCOC(CCC1([Si](C)(c2ccccc2)c2ccccc2)SCCCS1)OCC
InChIInChI=1S/C24H34O2S2Si/c1-4-25-23(26-5-2)17-18-24(27-19-12-20-28-24)29(3,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,23H,4-5,12,17-20H2,1-3H3
InChIKeyYXBHQWVQCFYXIA-UHFFFAOYSA-N
MW446.75 g/mol
LogP5.16
Rot. Bonds10

About [2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane

[2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane (PubChem CID 10366316) has the molecular formula C24H34O2S2Si and a molecular weight of 446.75 g/mol. Its IUPAC name is [2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane.

Molecular Properties

Compound Name[2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane
PubChem CID10366316
Molecular FormulaC24H34O2S2Si
Molecular Weight446.75 g/mol
Exact Mass446.18
IUPAC Name[2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane
SMILESCCOC(CCC1([Si](C)(c2ccccc2)c2ccccc2)SCCCS1)OCC
InChIInChI=1S/C24H34O2S2Si/c1-4-25-23(26-5-2)17-18-24(27-19-12-20-28-24)29(3,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,23H,4-5,12,17-20H2,1-3H3
InChIKeyYXBHQWVQCFYXIA-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.75
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-[4-[2-[3-(oxan-2-yloxy)propyl]-1,3-dithian-2-yl]butoxy]-diphenylsilane
CID 134936240
Tert-butyl-[2-(2-methyl-1,3-dithian-2-yl)ethoxy]-diphenylsilane
CID 11004259
[2-[2-(1,3-Dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
CID 11743440
tert-butyl-[(2S,4S)-5-(1,3-dithian-2-yl)-2-(ethoxymethoxy)-4-methoxypentoxy]-diphenylsilane
CID 46702202
Methyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane
CID 10321264
Methyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane
CID 10365421
[2-[1-(1,3-Dioxolan-2-yl)propan-2-yl]-1,3-dithian-2-yl]-methyl-diphenylsilane
CID 10365422
[2-[3-(1,3-Dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
CID 10455404
tert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane
CID 11037628
[2-[4-(1,3-Dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
CID 11048531
tert-butyl-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethoxy]-diphenylsilane
CID 11466208
tert-butyl-[(2S,4R)-5-(2-deuterio-1,3-dithian-2-yl)-2-(ethoxymethoxy)-4-methoxypentoxy]-diphenylsilane
CID 56839247

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane?
The IUPAC name of [2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane (CID 10366316) is [2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane.
What is the SMILES notation for [2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane?
The canonical SMILES for [2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane is CCOC(CCC1([Si](C)(c2ccccc2)c2ccccc2)SCCCS1)OCC.
What is the InChIKey of [2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane?
The InChIKey is YXBHQWVQCFYXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2S2Si/c1-4-25-23(26-5-2)17-18-24(27-19-12-20-28-24)29(3,21-13-8-6-9-14-21)22-15-10-7-11-16-22/h6-11,13-16,23H,4-5,12,17-20H2,1-3H3.
What are the key properties of [2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane?
[2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane has a molecular weight of 446.75 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane is sourced from PubChem (CID 10366316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).