2-methoxy-1,3-dioxolane

C4H8O3 — CID 29744

IUPAC2-methoxy-1,3-dioxolane
SMILESCOC1OCCO1
InChIInChI=1S/C4H8O3/c1-5-4-6-2-3-7-4/h4H,2-3H2,1H3
InChIKeyVRAYTNFBRROPJU-UHFFFAOYSA-N
MW104.10 g/mol
LogP-0.04
Rot. Bonds1

About 2-methoxy-1,3-dioxolane

2-methoxy-1,3-dioxolane (PubChem CID 29744) has the molecular formula C4H8O3 and a molecular weight of 104.10 g/mol. Its IUPAC name is 2-methoxy-1,3-dioxolane.

Molecular Properties

Compound Name2-methoxy-1,3-dioxolane
PubChem CID29744
Molecular FormulaC4H8O3
Molecular Weight104.10 g/mol
Exact Mass104.05
IUPAC Name2-methoxy-1,3-dioxolane
SMILESCOC1OCCO1
InChIInChI=1S/C4H8O3/c1-5-4-6-2-3-7-4/h4H,2-3H2,1H3
InChIKeyVRAYTNFBRROPJU-UHFFFAOYSA-N
XLogP-0.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.10
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-dioxolane?
The IUPAC name of 2-methoxy-1,3-dioxolane (CID 29744) is 2-methoxy-1,3-dioxolane.
What is the SMILES notation for 2-methoxy-1,3-dioxolane?
The canonical SMILES for 2-methoxy-1,3-dioxolane is COC1OCCO1.
What is the InChIKey of 2-methoxy-1,3-dioxolane?
The InChIKey is VRAYTNFBRROPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3/c1-5-4-6-2-3-7-4/h4H,2-3H2,1H3.
What are the key properties of 2-methoxy-1,3-dioxolane?
2-methoxy-1,3-dioxolane has a molecular weight of 104.10 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-dioxolane is sourced from PubChem (CID 29744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).