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

C7H10O4 — CID 67987689

IUPAC4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESCCOCc1oc(=O)oc1C
InChIInChI=1S/C7H10O4/c1-3-9-4-6-5(2)10-7(8)11-6/h3-4H2,1-2H3
InChIKeyFNGFJVBUYXPNSA-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.08
Rot. Bonds3

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

4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one (PubChem CID 67987689) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one
PubChem CID67987689
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one
SMILESCCOCc1oc(=O)oc1C
InChIInChI=1S/C7H10O4/c1-3-9-4-6-5(2)10-7(8)11-6/h3-4H2,1-2H3
InChIKeyFNGFJVBUYXPNSA-UHFFFAOYSA-N
XLogP1.08
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one?
The IUPAC name of 4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one (CID 67987689) is 4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one.
What is the SMILES notation for 4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one?
The canonical SMILES for 4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one is CCOCc1oc(=O)oc1C.
What is the InChIKey of 4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one?
The InChIKey is FNGFJVBUYXPNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-3-9-4-6-5(2)10-7(8)11-6/h3-4H2,1-2H3.
What are the key properties of 4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one?
4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one has a molecular weight of 158.15 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-5-methyl-1,3-dioxol-2-one is sourced from PubChem (CID 67987689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).