1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane

C13H28O4 — CID 53428775

IUPAC1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane
SMILESCCCOCC(COC)(COC)COCCC
InChIInChI=1S/C13H28O4/c1-5-7-16-11-13(9-14-3,10-15-4)12-17-8-6-2/h5-12H2,1-4H3
InChIKeyIWXSNWDBDZLKPF-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.12
Rot. Bonds12

About 1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane

1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane (PubChem CID 53428775) has the molecular formula C13H28O4 and a molecular weight of 248.36 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane
PubChem CID53428775
Molecular FormulaC13H28O4
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane
SMILESCCCOCC(COC)(COC)COCCC
InChIInChI=1S/C13H28O4/c1-5-7-16-11-13(9-14-3,10-15-4)12-17-8-6-2/h5-12H2,1-4H3
InChIKeyIWXSNWDBDZLKPF-UHFFFAOYSA-N
XLogP2.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane?
The IUPAC name of 1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane (CID 53428775) is 1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane.
What is the SMILES notation for 1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane?
The canonical SMILES for 1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane is CCCOCC(COC)(COC)COCCC.
What is the InChIKey of 1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane?
The InChIKey is IWXSNWDBDZLKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4/c1-5-7-16-11-13(9-14-3,10-15-4)12-17-8-6-2/h5-12H2,1-4H3.
What are the key properties of 1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane?
1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane has a molecular weight of 248.36 g/mol, XLogP of 2.12, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethyl)-3-propoxy-2-(propoxymethyl)propane is sourced from PubChem (CID 53428775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).