3,3-dimethoxyoxolane

C6H12O3 — CID 57176327

IUPAC3,3-dimethoxyoxolane
SMILESCOC1(OC)CCOC1
InChIInChI=1S/C6H12O3/c1-7-6(8-2)3-4-9-5-6/h3-5H2,1-2H3
InChIKeyDOLJOERLFKHNEY-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.40
Rot. Bonds2

About 3,3-dimethoxyoxolane

3,3-dimethoxyoxolane (PubChem CID 57176327) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3,3-dimethoxyoxolane.

Molecular Properties

Compound Name3,3-dimethoxyoxolane
PubChem CID57176327
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name3,3-dimethoxyoxolane
SMILESCOC1(OC)CCOC1
InChIInChI=1S/C6H12O3/c1-7-6(8-2)3-4-9-5-6/h3-5H2,1-2H3
InChIKeyDOLJOERLFKHNEY-UHFFFAOYSA-N
XLogP0.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3,3-dimethoxyoxolane?
The IUPAC name of 3,3-dimethoxyoxolane (CID 57176327) is 3,3-dimethoxyoxolane.
What is the SMILES notation for 3,3-dimethoxyoxolane?
The canonical SMILES for 3,3-dimethoxyoxolane is COC1(OC)CCOC1.
What is the InChIKey of 3,3-dimethoxyoxolane?
The InChIKey is DOLJOERLFKHNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-7-6(8-2)3-4-9-5-6/h3-5H2,1-2H3.
What are the key properties of 3,3-dimethoxyoxolane?
3,3-dimethoxyoxolane has a molecular weight of 132.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxyoxolane is sourced from PubChem (CID 57176327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).