4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide

C9H16O8S2 — CID 146363994

IUPAC4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide
SMILESCC1CC(CC2CC(C)OS(=O)(=O)O2)OS(=O)(=O)O1
InChIInChI=1S/C9H16O8S2/c1-6-3-8(16-18(10,11)14-6)5-9-4-7(2)15-19(12,13)17-9/h6-9H,3-5H2,1-2H3
InChIKeyHQQHYQLCQVKNTC-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.25
Rot. Bonds2

About 4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide

4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide (PubChem CID 146363994) has the molecular formula C9H16O8S2 and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide.

Molecular Properties

Compound Name4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide
PubChem CID146363994
Molecular FormulaC9H16O8S2
Molecular Weight316.35 g/mol
Exact Mass316.03
IUPAC Name4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide
SMILESCC1CC(CC2CC(C)OS(=O)(=O)O2)OS(=O)(=O)O1
InChIInChI=1S/C9H16O8S2/c1-6-3-8(16-18(10,11)14-6)5-9-4-7(2)15-19(12,13)17-9/h6-9H,3-5H2,1-2H3
InChIKeyHQQHYQLCQVKNTC-UHFFFAOYSA-N
XLogP0.25
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide 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 4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide?
The IUPAC name of 4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide (CID 146363994) is 4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide.
What is the SMILES notation for 4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide?
The canonical SMILES for 4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide is CC1CC(CC2CC(C)OS(=O)(=O)O2)OS(=O)(=O)O1.
What is the InChIKey of 4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide?
The InChIKey is HQQHYQLCQVKNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O8S2/c1-6-3-8(16-18(10,11)14-6)5-9-4-7(2)15-19(12,13)17-9/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide?
4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide has a molecular weight of 316.35 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(6-methyl-2,2-dioxo-1,3,2-dioxathian-4-yl)methyl]-1,3,2-dioxathiane 2,2-dioxide is sourced from PubChem (CID 146363994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).