4-(ethenoxymethyl)-1,3-dioxol-2-one

C6H6O4 — CID 141356839

IUPAC4-(ethenoxymethyl)-1,3-dioxol-2-one
SMILESC=COCc1coc(=O)o1
InChIInChI=1S/C6H6O4/c1-2-8-3-5-4-9-6(7)10-5/h2,4H,1,3H2
InChIKeyMFKSOGMGFCXXPH-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.89
Rot. Bonds3

About 4-(ethenoxymethyl)-1,3-dioxol-2-one

4-(ethenoxymethyl)-1,3-dioxol-2-one (PubChem CID 141356839) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is 4-(ethenoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(ethenoxymethyl)-1,3-dioxol-2-one
PubChem CID141356839
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name4-(ethenoxymethyl)-1,3-dioxol-2-one
SMILESC=COCc1coc(=O)o1
InChIInChI=1S/C6H6O4/c1-2-8-3-5-4-9-6(7)10-5/h2,4H,1,3H2
InChIKeyMFKSOGMGFCXXPH-UHFFFAOYSA-N
XLogP0.89
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-Methylene-1,3-dioxolan-2-one
CID 13157020
4-Ethenyl-2H-1,3-dioxol-2-one
CID 68541819
4-(2,2,2-Trifluoroethoxymethyl)-1,3-dioxol-2-one
CID 139390777
4-(3,3,3-Trifluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312367
4-(Difluoromethoxymethyl)-1,3-dioxol-2-one
CID 153312380
4-[(4-Fluoro-1,3-dioxolan-2-yl)oxymethyl]-1,3-dioxol-2-one
CID 170152528
(4E)-4-[[(E)-prop-1-enoxy]methylidene]-1,3-dioxolan-2-one
CID 17773906
(2-Oxo-1,3-dioxol-4-yl)methyl formate
CID 19759602
4-(Methoxymethyl)-1,3-dioxol-2-one
CID 20537317
(2-Oxo-1,3-dioxol-4-yl)methyl acetate
CID 21345008
4-Prop-2-enoxy-1,3-dioxol-2-one
CID 21431671
4-(Prop-1-enoxymethylidene)-1,3-dioxolan-2-one
CID 54105154

Frequently Asked Questions

What is the IUPAC name of 4-(ethenoxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(ethenoxymethyl)-1,3-dioxol-2-one (CID 141356839) is 4-(ethenoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(ethenoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(ethenoxymethyl)-1,3-dioxol-2-one is C=COCc1coc(=O)o1.
What is the InChIKey of 4-(ethenoxymethyl)-1,3-dioxol-2-one?
The InChIKey is MFKSOGMGFCXXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4/c1-2-8-3-5-4-9-6(7)10-5/h2,4H,1,3H2.
What are the key properties of 4-(ethenoxymethyl)-1,3-dioxol-2-one?
4-(ethenoxymethyl)-1,3-dioxol-2-one has a molecular weight of 142.11 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethenoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 141356839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).