2-ethyl-2-(methoxymethyl)-1,3-dioxolane

C7H14O3 — CID 58922192

IUPAC2-ethyl-2-(methoxymethyl)-1,3-dioxolane
SMILESCCC1(COC)OCCO1
InChIInChI=1S/C7H14O3/c1-3-7(6-8-2)9-4-5-10-7/h3-6H2,1-2H3
InChIKeyJIBCDQLEZRPRLK-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.79
Rot. Bonds3

About 2-ethyl-2-(methoxymethyl)-1,3-dioxolane

2-ethyl-2-(methoxymethyl)-1,3-dioxolane (PubChem CID 58922192) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-ethyl-2-(methoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2-(methoxymethyl)-1,3-dioxolane
PubChem CID58922192
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-ethyl-2-(methoxymethyl)-1,3-dioxolane
SMILESCCC1(COC)OCCO1
InChIInChI=1S/C7H14O3/c1-3-7(6-8-2)9-4-5-10-7/h3-6H2,1-2H3
InChIKeyJIBCDQLEZRPRLK-UHFFFAOYSA-N
XLogP0.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methoxymethyl)-1,3-dioxolane?
The IUPAC name of 2-ethyl-2-(methoxymethyl)-1,3-dioxolane (CID 58922192) is 2-ethyl-2-(methoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2-(methoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2-(methoxymethyl)-1,3-dioxolane is CCC1(COC)OCCO1.
What is the InChIKey of 2-ethyl-2-(methoxymethyl)-1,3-dioxolane?
The InChIKey is JIBCDQLEZRPRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-7(6-8-2)9-4-5-10-7/h3-6H2,1-2H3.
What are the key properties of 2-ethyl-2-(methoxymethyl)-1,3-dioxolane?
2-ethyl-2-(methoxymethyl)-1,3-dioxolane has a molecular weight of 146.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 58922192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).