2,2-dimethoxyoxolane

C6H12O3 — CID 11788317

IUPAC2,2-dimethoxyoxolane
SMILESCOC1(OC)CCCO1
InChIInChI=1S/C6H12O3/c1-7-6(8-2)4-3-5-9-6/h3-5H2,1-2H3
InChIKeyHRRAHRNQUBBIAR-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.74
Rot. Bonds2

About 2,2-dimethoxyoxolane

2,2-dimethoxyoxolane (PubChem CID 11788317) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2,2-dimethoxyoxolane.

Molecular Properties

Compound Name2,2-dimethoxyoxolane
PubChem CID11788317
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2,2-dimethoxyoxolane
SMILESCOC1(OC)CCCO1
InChIInChI=1S/C6H12O3/c1-7-6(8-2)4-3-5-9-6/h3-5H2,1-2H3
InChIKeyHRRAHRNQUBBIAR-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
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 2,2-dimethoxyoxolane?
The IUPAC name of 2,2-dimethoxyoxolane (CID 11788317) is 2,2-dimethoxyoxolane.
What is the SMILES notation for 2,2-dimethoxyoxolane?
The canonical SMILES for 2,2-dimethoxyoxolane is COC1(OC)CCCO1.
What is the InChIKey of 2,2-dimethoxyoxolane?
The InChIKey is HRRAHRNQUBBIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-7-6(8-2)4-3-5-9-6/h3-5H2,1-2H3.
What are the key properties of 2,2-dimethoxyoxolane?
2,2-dimethoxyoxolane has a molecular weight of 132.16 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyoxolane is sourced from PubChem (CID 11788317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).