4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one

C6H8O4 — CID 21362368

IUPAC4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESCOCc1oc(=O)oc1C
InChIInChI=1S/C6H8O4/c1-4-5(3-8-2)10-6(7)9-4/h3H2,1-2H3
InChIKeyPZZSUSOQPCMUND-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.69
Rot. Bonds2

About 4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one

4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one (PubChem CID 21362368) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one
PubChem CID21362368
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESCOCc1oc(=O)oc1C
InChIInChI=1S/C6H8O4/c1-4-5(3-8-2)10-6(7)9-4/h3H2,1-2H3
InChIKeyPZZSUSOQPCMUND-UHFFFAOYSA-N
XLogP0.69
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one?
The IUPAC name of 4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one (CID 21362368) is 4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one.
What is the SMILES notation for 4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one?
The canonical SMILES for 4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one is COCc1oc(=O)oc1C.
What is the InChIKey of 4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one?
The InChIKey is PZZSUSOQPCMUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-4-5(3-8-2)10-6(7)9-4/h3H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one?
4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one has a molecular weight of 144.13 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-5-methyl-1,3-dioxol-2-one is sourced from PubChem (CID 21362368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).