2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane

C13H24O2S4 — CID 71381969

IUPAC2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane
SMILESCOCC1(CC2(COC)SCCCS2)SCCCS1
InChIInChI=1S/C13H24O2S4/c1-14-10-12(16-5-3-6-17-12)9-13(11-15-2)18-7-4-8-19-13/h3-11H2,1-2H3
InChIKeyVJQVUJALMONWEP-UHFFFAOYSA-N
MW340.60 g/mol
LogP3.80
Rot. Bonds6

About 2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane

2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane (PubChem CID 71381969) has the molecular formula C13H24O2S4 and a molecular weight of 340.60 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane.

Molecular Properties

Compound Name2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane
PubChem CID71381969
Molecular FormulaC13H24O2S4
Molecular Weight340.60 g/mol
Exact Mass340.07
IUPAC Name2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane
SMILESCOCC1(CC2(COC)SCCCS2)SCCCS1
InChIInChI=1S/C13H24O2S4/c1-14-10-12(16-5-3-6-17-12)9-13(11-15-2)18-7-4-8-19-13/h3-11H2,1-2H3
InChIKeyVJQVUJALMONWEP-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane 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 2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane?
The IUPAC name of 2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane (CID 71381969) is 2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane.
What is the SMILES notation for 2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane?
The canonical SMILES for 2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane is COCC1(CC2(COC)SCCCS2)SCCCS1.
What is the InChIKey of 2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane?
The InChIKey is VJQVUJALMONWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2S4/c1-14-10-12(16-5-3-6-17-12)9-13(11-15-2)18-7-4-8-19-13/h3-11H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane?
2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane has a molecular weight of 340.60 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-[[2-(methoxymethyl)-1,3-dithian-2-yl]methyl]-1,3-dithiane is sourced from PubChem (CID 71381969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).