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

C6H8O4 — CID 118972507

IUPAC4-(ethoxymethyl)-1,3-dioxol-2-one
SMILESCCOCc1coc(=O)o1
InChIInChI=1S/C6H8O4/c1-2-8-3-5-4-9-6(7)10-5/h4H,2-3H2,1H3
InChIKeyRNMCTPDGWVMYGJ-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.77
Rot. Bonds3

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

4-(ethoxymethyl)-1,3-dioxol-2-one (PubChem CID 118972507) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(ethoxymethyl)-1,3-dioxol-2-one
PubChem CID118972507
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name4-(ethoxymethyl)-1,3-dioxol-2-one
SMILESCCOCc1coc(=O)o1
InChIInChI=1S/C6H8O4/c1-2-8-3-5-4-9-6(7)10-5/h4H,2-3H2,1H3
InChIKeyRNMCTPDGWVMYGJ-UHFFFAOYSA-N
XLogP0.77
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methylen-2,2-dimethyl-1,3-dioxolane
CID 12409146
4-[(Acetyloxy)methyl]-5-methyl-1,3-dioxol-2-one
CID 19611268
2,2-Dimethoxy-4-methylene-1,3-dioxolane
CID 21677531
2-Methoxy-2-methyl-4-methylene-1,3-dioxolane
CID 21677530
2-Ethyl-2-methyl-4-methylene-1,3-dioxolane
CID 12409157
4-(2,2,2-Trifluoroethoxymethyl)-1,3-dioxol-2-one
CID 139390777
4-(3,3-Difluorobutoxymethyl)-1,3-dioxol-2-one
CID 153312352
4-(1,1,2,2-Tetrafluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312354
4-(3,3,3-Trifluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312367
4-(2,2-Difluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312370
4-[(2,3,3,3-Tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one
CID 153312390
4-(1-Fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole
CID 154637590

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(ethoxymethyl)-1,3-dioxol-2-one (CID 118972507) is 4-(ethoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(ethoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(ethoxymethyl)-1,3-dioxol-2-one is CCOCc1coc(=O)o1.
What is the InChIKey of 4-(ethoxymethyl)-1,3-dioxol-2-one?
The InChIKey is RNMCTPDGWVMYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-2-8-3-5-4-9-6(7)10-5/h4H,2-3H2,1H3.
What are the key properties of 4-(ethoxymethyl)-1,3-dioxol-2-one?
4-(ethoxymethyl)-1,3-dioxol-2-one has a molecular weight of 144.13 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 118972507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).