2-(dimethoxymethyl)oxolane

C7H14O3 — CID 11332544

IUPAC2-(dimethoxymethyl)oxolane
SMILESCOC(OC)C1CCCO1
InChIInChI=1S/C7H14O3/c1-8-7(9-2)6-4-3-5-10-6/h6-7H,3-5H2,1-2H3
InChIKeyFPOLAVLUVREOJE-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.78
Rot. Bonds3

About 2-(dimethoxymethyl)oxolane

2-(dimethoxymethyl)oxolane (PubChem CID 11332544) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(dimethoxymethyl)oxolane.

Molecular Properties

Compound Name2-(dimethoxymethyl)oxolane
PubChem CID11332544
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name2-(dimethoxymethyl)oxolane
SMILESCOC(OC)C1CCCO1
InChIInChI=1S/C7H14O3/c1-8-7(9-2)6-4-3-5-10-6/h6-7H,3-5H2,1-2H3
InChIKeyFPOLAVLUVREOJE-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
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-(dimethoxymethyl)oxolane?
The IUPAC name of 2-(dimethoxymethyl)oxolane (CID 11332544) is 2-(dimethoxymethyl)oxolane.
What is the SMILES notation for 2-(dimethoxymethyl)oxolane?
The canonical SMILES for 2-(dimethoxymethyl)oxolane is COC(OC)C1CCCO1.
What is the InChIKey of 2-(dimethoxymethyl)oxolane?
The InChIKey is FPOLAVLUVREOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-8-7(9-2)6-4-3-5-10-6/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(dimethoxymethyl)oxolane?
2-(dimethoxymethyl)oxolane has a molecular weight of 146.19 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)oxolane is sourced from PubChem (CID 11332544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).