1-(1-butoxypropan-2-yloxy)-2-ethoxybutane

C13H28O3 — CID 157107296

IUPAC1-(1-butoxypropan-2-yloxy)-2-ethoxybutane
SMILESCCCCOCC(C)OCC(CC)OCC
InChIInChI=1S/C13H28O3/c1-5-8-9-14-10-12(4)16-11-13(6-2)15-7-3/h12-13H,5-11H2,1-4H3
InChIKeyAGLDWRGNJJOLSM-UHFFFAOYSA-N
MW232.36 g/mol
LogP3.02
Rot. Bonds11

About 1-(1-butoxypropan-2-yloxy)-2-ethoxybutane

1-(1-butoxypropan-2-yloxy)-2-ethoxybutane (PubChem CID 157107296) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 1-(1-butoxypropan-2-yloxy)-2-ethoxybutane.

Molecular Properties

Compound Name1-(1-butoxypropan-2-yloxy)-2-ethoxybutane
PubChem CID157107296
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name1-(1-butoxypropan-2-yloxy)-2-ethoxybutane
SMILESCCCCOCC(C)OCC(CC)OCC
InChIInChI=1S/C13H28O3/c1-5-8-9-14-10-12(4)16-11-13(6-2)15-7-3/h12-13H,5-11H2,1-4H3
InChIKeyAGLDWRGNJJOLSM-UHFFFAOYSA-N
XLogP3.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-butoxy-3-(2,3-dibutoxypropoxy)propoxy]-1-(2,3-dibutoxypropoxy)butane
CID 157319406
1-[2-(2-hydroperoxyethoxy)propoxy]butane
CID 87604055
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol
CID 88546913
1-(2-propoxypropoxy)pentane
CID 22002926
1-(2-hexoxypropoxy)hexane
CID 71353992
1-(2-butoxybutoxy)-17-methyloctadecane
CID 126586639
4-butoxy-3-ethoxybutanoic acid
CID 88787167
1-(1-hexoxypropan-2-yloxy)propan-2-ol
CID 22182175
2-methyl-1-(1-octoxypropan-2-yloxy)decane
CID 23399371
1-(2-butoxybutoxy)-17-fluorooctadecane
CID 126586663

Frequently Asked Questions

What is the IUPAC name of 1-(1-butoxypropan-2-yloxy)-2-ethoxybutane?
The IUPAC name of 1-(1-butoxypropan-2-yloxy)-2-ethoxybutane (CID 157107296) is 1-(1-butoxypropan-2-yloxy)-2-ethoxybutane.
What is the SMILES notation for 1-(1-butoxypropan-2-yloxy)-2-ethoxybutane?
The canonical SMILES for 1-(1-butoxypropan-2-yloxy)-2-ethoxybutane is CCCCOCC(C)OCC(CC)OCC.
What is the InChIKey of 1-(1-butoxypropan-2-yloxy)-2-ethoxybutane?
The InChIKey is AGLDWRGNJJOLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-5-8-9-14-10-12(4)16-11-13(6-2)15-7-3/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-(1-butoxypropan-2-yloxy)-2-ethoxybutane?
1-(1-butoxypropan-2-yloxy)-2-ethoxybutane has a molecular weight of 232.36 g/mol, XLogP of 3.02, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxypropan-2-yloxy)-2-ethoxybutane is sourced from PubChem (CID 157107296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).