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

C24H32O2S2Si — CID 10321264

IUPACmethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane
SMILESCC1(CCCC2([Si](C)(c3ccccc3)c3ccccc3)SCCCS2)OCCO1
InChIInChI=1S/C24H32O2S2Si/c1-23(25-17-18-26-23)15-9-16-24(27-19-10-20-28-24)29(2,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-14H,9-10,15-20H2,1-2H3
InChIKeyPVJYKJLNLSPEHH-UHFFFAOYSA-N
MW444.74 g/mol
LogP4.92
Rot. Bonds7

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

methyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane (PubChem CID 10321264) has the molecular formula C24H32O2S2Si and a molecular weight of 444.74 g/mol. Its IUPAC name is methyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane.

Molecular Properties

Compound Namemethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane
PubChem CID10321264
Molecular FormulaC24H32O2S2Si
Molecular Weight444.74 g/mol
Exact Mass444.16
IUPAC Namemethyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane
SMILESCC1(CCCC2([Si](C)(c3ccccc3)c3ccccc3)SCCCS2)OCCO1
InChIInChI=1S/C24H32O2S2Si/c1-23(25-17-18-26-23)15-9-16-24(27-19-10-20-28-24)29(2,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-14H,9-10,15-20H2,1-2H3
InChIKeyPVJYKJLNLSPEHH-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane?
The IUPAC name of methyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane (CID 10321264) is methyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane.
What is the SMILES notation for methyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane?
The canonical SMILES for methyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane is CC1(CCCC2([Si](C)(c3ccccc3)c3ccccc3)SCCCS2)OCCO1.
What is the InChIKey of methyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane?
The InChIKey is PVJYKJLNLSPEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O2S2Si/c1-23(25-17-18-26-23)15-9-16-24(27-19-10-20-28-24)29(2,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-14H,9-10,15-20H2,1-2H3.
What are the key properties of methyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane?
methyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane has a molecular weight of 444.74 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-diphenylsilane is sourced from PubChem (CID 10321264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).