HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

4-(Methoxymethyl)-1,3-dioxolan-2-one

HCID 4384485
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
40492-31-7
Standard SMILES
COCC1COC(=O)O1
InChIKey
DNSGQMOSYDHNHO-UHFFFAOYSA-N
Molecular formula
C5H8O4
Average molar mass
132.11 g/mol
Monoisotopic mass
132.04225873

Names & identifiers

Preferred name
4-(Methoxymethyl)-1,3-dioxolan-2-one
IUPAC
4-(methoxymethyl)-1,3-dioxolan-2-one

Names & synonyms

4-(methoxymethyl)-1,3-dioxolan-2-one40492-31-7DTXSID50402696RefChem:289150DTXCID303535511,3-Dioxolan-2-one, 4-(methoxymethyl)-4-Methoxymethyl-1,3-dioxolane-2-oneSCHEMBL48490DNSGQMOSYDHNHO-UHFFFAOYSA-NMFCD243902624-methoxymethyl-1,3-dioxolan-2-oneSB44913
Show more names
SB44914SY355189(RS)-4-methoxymethyl-1,3-dioxolan-2-oneDB-063092DB-065543DB-184181(RS)-4-(methoxymethyl)-1,3-dioxolan-2-one

Database identifiers

CAS
40492-31-7
PubChem CID
4384485
DTXSID
DTXSID50402696
Nikkaji
J1.056.469G

Properties

Computed structural propertiesFilling in

XLogP
-0.9
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
9
Formal charge
0
Complexity
112

Related reactions

17 records
New reaction record
HRID 650257 reaction equation
HRID 650257As reactantuspto-grants-2001_08
HRID 650259 reaction equation
HRID 650259As reactantuspto-grants-2001_08
HRID 650262 reaction equation
HRID 650262As reactantuspto-grants-2001_08
HRID 650263 reaction equation
HRID 650263As reactantuspto-grants-2001_08
HRID 806306 reaction equation
HRID 806306As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1087578 reaction equation
HRID 1087578As productuspto-grants-1991_07
HRID 1087610 reaction equation
HRID 1087610As productuspto-grants-1991_07
HRID 1147718 reaction equation
HRID 1147718As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
Page 1 of 3

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes