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

C8H12O4 — CID 159984719

IUPAC4-(1-ethoxyethyl)-5-methyl-1,3-dioxol-2-one
SMILESCCOC(C)c1oc(=O)oc1C
InChIInChI=1S/C8H12O4/c1-4-10-5(2)7-6(3)11-8(9)12-7/h5H,4H2,1-3H3
InChIKeyQNRPXZVZDXUIGO-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.64
Rot. Bonds3

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

4-(1-ethoxyethyl)-5-methyl-1,3-dioxol-2-one (PubChem CID 159984719) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 4-(1-ethoxyethyl)-5-methyl-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(1-ethoxyethyl)-5-methyl-1,3-dioxol-2-one
PubChem CID159984719
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name4-(1-ethoxyethyl)-5-methyl-1,3-dioxol-2-one
SMILESCCOC(C)c1oc(=O)oc1C
InChIInChI=1S/C8H12O4/c1-4-10-5(2)7-6(3)11-8(9)12-7/h5H,4H2,1-3H3
InChIKeyQNRPXZVZDXUIGO-UHFFFAOYSA-N
XLogP1.64
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethyl)-5-methyl-1,3-dioxol-2-one?
The IUPAC name of 4-(1-ethoxyethyl)-5-methyl-1,3-dioxol-2-one (CID 159984719) is 4-(1-ethoxyethyl)-5-methyl-1,3-dioxol-2-one.
What is the SMILES notation for 4-(1-ethoxyethyl)-5-methyl-1,3-dioxol-2-one?
The canonical SMILES for 4-(1-ethoxyethyl)-5-methyl-1,3-dioxol-2-one is CCOC(C)c1oc(=O)oc1C.
What is the InChIKey of 4-(1-ethoxyethyl)-5-methyl-1,3-dioxol-2-one?
The InChIKey is QNRPXZVZDXUIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-4-10-5(2)7-6(3)11-8(9)12-7/h5H,4H2,1-3H3.
What are the key properties of 4-(1-ethoxyethyl)-5-methyl-1,3-dioxol-2-one?
4-(1-ethoxyethyl)-5-methyl-1,3-dioxol-2-one has a molecular weight of 172.18 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethyl)-5-methyl-1,3-dioxol-2-one is sourced from PubChem (CID 159984719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).