2,5-bis(methoxymethyl)oxolane

C8H16O3 — CID 57041378

IUPAC2,5-bis(methoxymethyl)oxolane
SMILESCOCC1CCC(COC)O1
InChIInChI=1S/C8H16O3/c1-9-5-7-3-4-8(11-7)6-10-2/h7-8H,3-6H2,1-2H3
InChIKeyFRBJEDLSFZZCFY-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.83
Rot. Bonds4

About 2,5-bis(methoxymethyl)oxolane

2,5-bis(methoxymethyl)oxolane (PubChem CID 57041378) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2,5-bis(methoxymethyl)oxolane.

Molecular Properties

Compound Name2,5-bis(methoxymethyl)oxolane
PubChem CID57041378
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2,5-bis(methoxymethyl)oxolane
SMILESCOCC1CCC(COC)O1
InChIInChI=1S/C8H16O3/c1-9-5-7-3-4-8(11-7)6-10-2/h7-8H,3-6H2,1-2H3
InChIKeyFRBJEDLSFZZCFY-UHFFFAOYSA-N
XLogP0.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(methoxymethyl)oxolane?
The IUPAC name of 2,5-bis(methoxymethyl)oxolane (CID 57041378) is 2,5-bis(methoxymethyl)oxolane.
What is the SMILES notation for 2,5-bis(methoxymethyl)oxolane?
The canonical SMILES for 2,5-bis(methoxymethyl)oxolane is COCC1CCC(COC)O1.
What is the InChIKey of 2,5-bis(methoxymethyl)oxolane?
The InChIKey is FRBJEDLSFZZCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-9-5-7-3-4-8(11-7)6-10-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,5-bis(methoxymethyl)oxolane?
2,5-bis(methoxymethyl)oxolane has a molecular weight of 160.21 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(methoxymethyl)oxolane is sourced from PubChem (CID 57041378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).