2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane

C9H18O2S2 — CID 10704291

IUPAC2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane
SMILESCOCOC(C)(C)C1SCCCS1
InChIInChI=1S/C9H18O2S2/c1-9(2,11-7-10-3)8-12-5-4-6-13-8/h8H,4-7H2,1-3H3
InChIKeyQJOBCUWIJQDCJB-UHFFFAOYSA-N
MW222.37 g/mol
LogP2.58
Rot. Bonds4

About 2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane

2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane (PubChem CID 10704291) has the molecular formula C9H18O2S2 and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane.

Molecular Properties

Compound Name2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane
PubChem CID10704291
Molecular FormulaC9H18O2S2
Molecular Weight222.37 g/mol
Exact Mass222.07
IUPAC Name2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane
SMILESCOCOC(C)(C)C1SCCCS1
InChIInChI=1S/C9H18O2S2/c1-9(2,11-7-10-3)8-12-5-4-6-13-8/h8H,4-7H2,1-3H3
InChIKeyQJOBCUWIJQDCJB-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane?
The IUPAC name of 2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane (CID 10704291) is 2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane.
What is the SMILES notation for 2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane?
The canonical SMILES for 2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane is COCOC(C)(C)C1SCCCS1.
What is the InChIKey of 2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane?
The InChIKey is QJOBCUWIJQDCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2S2/c1-9(2,11-7-10-3)8-12-5-4-6-13-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane?
2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane has a molecular weight of 222.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethoxy)propan-2-yl]-1,3-dithiane is sourced from PubChem (CID 10704291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).