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

C23H30O2S2Si — CID 11743440

IUPAC[2-[2-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
SMILESCC(CC1([Si](C)(c2ccccc2)c2ccccc2)SCCCS1)C1OCCO1
InChIInChI=1S/C23H30O2S2Si/c1-19(22-24-14-15-25-22)18-23(26-16-9-17-27-23)28(2,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,19,22H,9,14-18H2,1-2H3
InChIKeyFUEUYFOIFBTFDD-UHFFFAOYSA-N
MW430.71 g/mol
LogP4.38
Rot. Bonds6

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

[2-[2-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane (PubChem CID 11743440) has the molecular formula C23H30O2S2Si and a molecular weight of 430.71 g/mol. Its IUPAC name is [2-[2-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane.

Molecular Properties

Compound Name[2-[2-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
PubChem CID11743440
Molecular FormulaC23H30O2S2Si
Molecular Weight430.71 g/mol
Exact Mass430.15
IUPAC Name[2-[2-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
SMILESCC(CC1([Si](C)(c2ccccc2)c2ccccc2)SCCCS1)C1OCCO1
InChIInChI=1S/C23H30O2S2Si/c1-19(22-24-14-15-25-22)18-23(26-16-9-17-27-23)28(2,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,19,22H,9,14-18H2,1-2H3
InChIKeyFUEUYFOIFBTFDD-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.71
LogP ≤ 54.38
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-[2-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane?
The IUPAC name of [2-[2-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane (CID 11743440) is [2-[2-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane.
What is the SMILES notation for [2-[2-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane?
The canonical SMILES for [2-[2-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane is CC(CC1([Si](C)(c2ccccc2)c2ccccc2)SCCCS1)C1OCCO1.
What is the InChIKey of [2-[2-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane?
The InChIKey is FUEUYFOIFBTFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2S2Si/c1-19(22-24-14-15-25-22)18-23(26-16-9-17-27-23)28(2,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13,19,22H,9,14-18H2,1-2H3.
What are the key properties of [2-[2-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane?
[2-[2-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane has a molecular weight of 430.71 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane is sourced from PubChem (CID 11743440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).