3-(methoxymethoxy)-4,4-dimethyloxolan-2-one

C8H14O4 — CID 85085352

IUPAC3-(methoxymethoxy)-4,4-dimethyloxolan-2-one
SMILESCOCOC1C(=O)OCC1(C)C
InChIInChI=1S/C8H14O4/c1-8(2)4-11-7(9)6(8)12-5-10-3/h6H,4-5H2,1-3H3
InChIKeyLHJZYONGDHUKGN-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.56
Rot. Bonds3

About 3-(methoxymethoxy)-4,4-dimethyloxolan-2-one

3-(methoxymethoxy)-4,4-dimethyloxolan-2-one (PubChem CID 85085352) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(methoxymethoxy)-4,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name3-(methoxymethoxy)-4,4-dimethyloxolan-2-one
PubChem CID85085352
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name3-(methoxymethoxy)-4,4-dimethyloxolan-2-one
SMILESCOCOC1C(=O)OCC1(C)C
InChIInChI=1S/C8H14O4/c1-8(2)4-11-7(9)6(8)12-5-10-3/h6H,4-5H2,1-3H3
InChIKeyLHJZYONGDHUKGN-UHFFFAOYSA-N
XLogP0.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)-4,4-dimethyloxolan-2-one?
The IUPAC name of 3-(methoxymethoxy)-4,4-dimethyloxolan-2-one (CID 85085352) is 3-(methoxymethoxy)-4,4-dimethyloxolan-2-one.
What is the SMILES notation for 3-(methoxymethoxy)-4,4-dimethyloxolan-2-one?
The canonical SMILES for 3-(methoxymethoxy)-4,4-dimethyloxolan-2-one is COCOC1C(=O)OCC1(C)C.
What is the InChIKey of 3-(methoxymethoxy)-4,4-dimethyloxolan-2-one?
The InChIKey is LHJZYONGDHUKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-8(2)4-11-7(9)6(8)12-5-10-3/h6H,4-5H2,1-3H3.
What are the key properties of 3-(methoxymethoxy)-4,4-dimethyloxolan-2-one?
3-(methoxymethoxy)-4,4-dimethyloxolan-2-one has a molecular weight of 174.20 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-4,4-dimethyloxolan-2-one is sourced from PubChem (CID 85085352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).