[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane

C24H32O2S2Si — CID 11048531

IUPAC[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
SMILESC[Si](c1ccccc1)(c1ccccc1)C1(CCCCC2OCCO2)SCCCS1
InChIInChI=1S/C24H32O2S2Si/c1-29(21-11-4-2-5-12-21,22-13-6-3-7-14-22)24(27-19-10-20-28-24)16-9-8-15-23-25-17-18-26-23/h2-7,11-14,23H,8-10,15-20H2,1H3
InChIKeySMXZREMXXWDLNV-UHFFFAOYSA-N
MW444.74 g/mol
LogP4.92
Rot. Bonds8

About [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane

[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane (PubChem CID 11048531) has the molecular formula C24H32O2S2Si and a molecular weight of 444.74 g/mol. Its IUPAC name is [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane.

Molecular Properties

Compound Name[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
PubChem CID11048531
Molecular FormulaC24H32O2S2Si
Molecular Weight444.74 g/mol
Exact Mass444.16
IUPAC Name[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
SMILESC[Si](c1ccccc1)(c1ccccc1)C1(CCCCC2OCCO2)SCCCS1
InChIInChI=1S/C24H32O2S2Si/c1-29(21-11-4-2-5-12-21,22-13-6-3-7-14-22)24(27-19-10-20-28-24)16-9-8-15-23-25-17-18-26-23/h2-7,11-14,23H,8-10,15-20H2,1H3
InChIKeySMXZREMXXWDLNV-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.74
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'}

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Related Compounds

tert-butyl-[(2R,3S)-4-(1,3-dithian-2-yl)-3-(2-methoxyethoxymethoxy)-2-methylbutoxy]-diphenylsilane
CID 134878188
Tert-butyl-[4-[2-[3-(oxan-2-yloxy)propyl]-1,3-dithian-2-yl]butoxy]-diphenylsilane
CID 134936240
[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
tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane
CID 134878579
Tert-butyl-[4-(1,3-dithian-2-yl)-3-(2-methoxyethoxymethoxy)-2-methylbutoxy]-diphenylsilane
CID 21678644
Methyl [2-[[methyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl] carbonate
CID 20744778
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-(3,3-Diethoxypropyl)-1,3-dithian-2-yl]-methyl-diphenylsilane
CID 10366316
[2-[3-(1,3-Dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
CID 10455404

Frequently Asked Questions

What is the IUPAC name of [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane?
The IUPAC name of [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane (CID 11048531) is [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane.
What is the SMILES notation for [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane?
The canonical SMILES for [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane is C[Si](c1ccccc1)(c1ccccc1)C1(CCCCC2OCCO2)SCCCS1.
What is the InChIKey of [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane?
The InChIKey is SMXZREMXXWDLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2S2Si/c1-29(21-11-4-2-5-12-21,22-13-6-3-7-14-22)24(27-19-10-20-28-24)16-9-8-15-23-25-17-18-26-23/h2-7,11-14,23H,8-10,15-20H2,1H3.
What are the key properties of [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane?
[2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane has a molecular weight of 444.74 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(1,3-dioxolan-2-yl)butyl]-1,3-dithian-2-yl]-methyl-diphenylsilane is sourced from PubChem (CID 11048531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).