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

C23H30O2S2Si — CID 10365421

IUPACmethyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane
SMILESCC1(CCC2([Si](C)(c3ccccc3)c3ccccc3)SCCCS2)OCCO1
InChIInChI=1S/C23H30O2S2Si/c1-22(24-16-17-25-22)14-15-23(26-18-9-19-27-23)28(2,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13H,9,14-19H2,1-2H3
InChIKeyWCEUWRCEFRPQMF-UHFFFAOYSA-N
MW430.71 g/mol
LogP4.53
Rot. Bonds6

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

methyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane (PubChem CID 10365421) has the molecular formula C23H30O2S2Si and a molecular weight of 430.71 g/mol. Its IUPAC name is methyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane.

Molecular Properties

Compound Namemethyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane
PubChem CID10365421
Molecular FormulaC23H30O2S2Si
Molecular Weight430.71 g/mol
Exact Mass430.15
IUPAC Namemethyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane
SMILESCC1(CCC2([Si](C)(c3ccccc3)c3ccccc3)SCCCS2)OCCO1
InChIInChI=1S/C23H30O2S2Si/c1-22(24-16-17-25-22)14-15-23(26-18-9-19-27-23)28(2,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13H,9,14-19H2,1-2H3
InChIKeyWCEUWRCEFRPQMF-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane?
The IUPAC name of methyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane (CID 10365421) is methyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane.
What is the SMILES notation for methyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane?
The canonical SMILES for methyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane is CC1(CCC2([Si](C)(c3ccccc3)c3ccccc3)SCCCS2)OCCO1.
What is the InChIKey of methyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane?
The InChIKey is WCEUWRCEFRPQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2S2Si/c1-22(24-16-17-25-22)14-15-23(26-18-9-19-27-23)28(2,20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-8,10-13H,9,14-19H2,1-2H3.
What are the key properties of methyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane?
methyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane has a molecular weight of 430.71 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dithian-2-yl]-diphenylsilane is sourced from PubChem (CID 10365421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).