5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide

C7H14O6S — CID 153021979

IUPAC5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide
SMILESCOCC1(COC)COS(=O)(=O)OC1
InChIInChI=1S/C7H14O6S/c1-10-3-7(4-11-2)5-12-14(8,9)13-6-7/h3-6H2,1-2H3
InChIKeyVCCPVXGDVANHAA-UHFFFAOYSA-N
MW226.25 g/mol
LogP-0.44
Rot. Bonds4

About 5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide

5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide (PubChem CID 153021979) has the molecular formula C7H14O6S and a molecular weight of 226.25 g/mol. Its IUPAC name is 5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide.

Molecular Properties

Compound Name5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide
PubChem CID153021979
Molecular FormulaC7H14O6S
Molecular Weight226.25 g/mol
Exact Mass226.05
IUPAC Name5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide
SMILESCOCC1(COC)COS(=O)(=O)OC1
InChIInChI=1S/C7H14O6S/c1-10-3-7(4-11-2)5-12-14(8,9)13-6-7/h3-6H2,1-2H3
InChIKeyVCCPVXGDVANHAA-UHFFFAOYSA-N
XLogP-0.44
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide?
The IUPAC name of 5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide (CID 153021979) is 5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide.
What is the SMILES notation for 5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide?
The canonical SMILES for 5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide is COCC1(COC)COS(=O)(=O)OC1.
What is the InChIKey of 5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide?
The InChIKey is VCCPVXGDVANHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O6S/c1-10-3-7(4-11-2)5-12-14(8,9)13-6-7/h3-6H2,1-2H3.
What are the key properties of 5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide?
5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide has a molecular weight of 226.25 g/mol, XLogP of -0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide is sourced from PubChem (CID 153021979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).