2-(methoxymethoxy)propane

C5H12O2 — CID 524896

IUPAC2-(methoxymethoxy)propane
SMILESCOCOC(C)C
InChIInChI=1S/C5H12O2/c1-5(2)7-4-6-3/h5H,4H2,1-3H3
InChIKeyHUZJBGQIKPVLRU-UHFFFAOYSA-N
MW104.15 g/mol
LogP1.02
Rot. Bonds3

About 2-(methoxymethoxy)propane

2-(methoxymethoxy)propane (PubChem CID 524896) has the molecular formula C5H12O2 and a molecular weight of 104.15 g/mol. Its IUPAC name is 2-(methoxymethoxy)propane.

Molecular Properties

Compound Name2-(methoxymethoxy)propane
PubChem CID524896
Molecular FormulaC5H12O2
Molecular Weight104.15 g/mol
Exact Mass104.08
IUPAC Name2-(methoxymethoxy)propane
SMILESCOCOC(C)C
InChIInChI=1S/C5H12O2/c1-5(2)7-4-6-3/h5H,4H2,1-3H3
InChIKeyHUZJBGQIKPVLRU-UHFFFAOYSA-N
XLogP1.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(methoxymethoxy)propane?
The IUPAC name of 2-(methoxymethoxy)propane (CID 524896) is 2-(methoxymethoxy)propane.
What is the SMILES notation for 2-(methoxymethoxy)propane?
The canonical SMILES for 2-(methoxymethoxy)propane is COCOC(C)C.
What is the InChIKey of 2-(methoxymethoxy)propane?
The InChIKey is HUZJBGQIKPVLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2/c1-5(2)7-4-6-3/h5H,4H2,1-3H3.
What are the key properties of 2-(methoxymethoxy)propane?
2-(methoxymethoxy)propane has a molecular weight of 104.15 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)propane is sourced from PubChem (CID 524896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).