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

C23H30O2S2Si — CID 10455404

IUPAC[2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
SMILESC[Si](c1ccccc1)(c1ccccc1)C1(CCCC2OCCO2)SCCCS1
InChIInChI=1S/C23H30O2S2Si/c1-28(20-10-4-2-5-11-20,21-12-6-3-7-13-21)23(26-18-9-19-27-23)15-8-14-22-24-16-17-25-22/h2-7,10-13,22H,8-9,14-19H2,1H3
InChIKeyLSJRSGJLXXGCTE-UHFFFAOYSA-N
MW430.71 g/mol
LogP4.53
Rot. Bonds7

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

[2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane (PubChem CID 10455404) has the molecular formula C23H30O2S2Si and a molecular weight of 430.71 g/mol. Its IUPAC name is [2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane.

Molecular Properties

Compound Name[2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
PubChem CID10455404
Molecular FormulaC23H30O2S2Si
Molecular Weight430.71 g/mol
Exact Mass430.15
IUPAC Name[2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
SMILESC[Si](c1ccccc1)(c1ccccc1)C1(CCCC2OCCO2)SCCCS1
InChIInChI=1S/C23H30O2S2Si/c1-28(20-10-4-2-5-11-20,21-12-6-3-7-13-21)23(26-18-9-19-27-23)15-8-14-22-24-16-17-25-22/h2-7,10-13,22H,8-9,14-19H2,1H3
InChIKeyLSJRSGJLXXGCTE-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.71
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane?
The IUPAC name of [2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane (CID 10455404) is [2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane.
What is the SMILES notation for [2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane?
The canonical SMILES for [2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane is C[Si](c1ccccc1)(c1ccccc1)C1(CCCC2OCCO2)SCCCS1.
What is the InChIKey of [2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane?
The InChIKey is LSJRSGJLXXGCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2S2Si/c1-28(20-10-4-2-5-11-20,21-12-6-3-7-13-21)23(26-18-9-19-27-23)15-8-14-22-24-16-17-25-22/h2-7,10-13,22H,8-9,14-19H2,1H3.
What are the key properties of [2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane?
[2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane has a molecular weight of 430.71 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane is sourced from PubChem (CID 10455404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).