1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane

C13H28O4 — CID 24838540

IUPAC1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane
SMILESCCCCOCCOCC(C)OCCCOC
InChIInChI=1S/C13H28O4/c1-4-5-8-15-10-11-16-12-13(2)17-9-6-7-14-3/h13H,4-12H2,1-3H3
InChIKeyPXWCUJRVSZCPHE-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.26
Rot. Bonds13

About 1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane

1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane (PubChem CID 24838540) has the molecular formula C13H28O4 and a molecular weight of 248.36 g/mol. Its IUPAC name is 1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane.

Molecular Properties

Compound Name1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane
PubChem CID24838540
Molecular FormulaC13H28O4
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane
SMILESCCCCOCCOCC(C)OCCCOC
InChIInChI=1S/C13H28O4/c1-4-5-8-15-10-11-16-12-13(2)17-9-6-7-14-3/h13H,4-12H2,1-3H3
InChIKeyPXWCUJRVSZCPHE-UHFFFAOYSA-N
XLogP2.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.26
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-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane?
The IUPAC name of 1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane (CID 24838540) is 1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane.
What is the SMILES notation for 1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane?
The canonical SMILES for 1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane is CCCCOCCOCC(C)OCCCOC.
What is the InChIKey of 1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane?
The InChIKey is PXWCUJRVSZCPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4/c1-4-5-8-15-10-11-16-12-13(2)17-9-6-7-14-3/h13H,4-12H2,1-3H3.
What are the key properties of 1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane?
1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane has a molecular weight of 248.36 g/mol, XLogP of 2.26, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-methoxypropoxy)propoxy]ethoxy]butane is sourced from PubChem (CID 24838540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).