2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane

C14H30O4 — CID 87065837

IUPAC2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
SMILESCCCOC(C)COCCOCC(C)OCCC
InChIInChI=1S/C14H30O4/c1-5-7-17-13(3)11-15-9-10-16-12-14(4)18-8-6-2/h13-14H,5-12H2,1-4H3
InChIKeyMXJHVPPUJXBQFV-UHFFFAOYSA-N
MW262.39 g/mol
LogP2.65
Rot. Bonds13

About 2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane

2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane (PubChem CID 87065837) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane.

Molecular Properties

Compound Name2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
PubChem CID87065837
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
SMILESCCCOC(C)COCCOCC(C)OCCC
InChIInChI=1S/C14H30O4/c1-5-7-17-13(3)11-15-9-10-16-12-14(4)18-8-6-2/h13-14H,5-12H2,1-4H3
InChIKeyMXJHVPPUJXBQFV-UHFFFAOYSA-N
XLogP2.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.65
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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Related Compounds

2-(1-propoxypropan-2-yloxy)ethanol
CID 59676189
1-(2-propoxypropoxy)pentane
CID 22002926
2-methoxy-1-(2-propoxypropoxy)propane
CID 174155722
1-(1-propoxypropan-2-yloxy)pentane
CID 154093458
1-(2-hexoxypropoxy)hexane
CID 71353992
2-[1-(2-propoxypropoxy)propan-2-yloxy]propan-1-ol
CID 57495087
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955
2-methyl-1-[1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propan-2-yloxy]propane
CID 58121620
2-methoxy-1-(2-propoxyethoxy)propane
CID 131970313
2-(1-octoxypropan-2-yloxy)ethanol
CID 59000352
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane?
The IUPAC name of 2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane (CID 87065837) is 2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane.
What is the SMILES notation for 2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane?
The canonical SMILES for 2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane is CCCOC(C)COCCOCC(C)OCCC.
What is the InChIKey of 2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane?
The InChIKey is MXJHVPPUJXBQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-5-7-17-13(3)11-15-9-10-16-12-14(4)18-8-6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane?
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane has a molecular weight of 262.39 g/mol, XLogP of 2.65, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane is sourced from PubChem (CID 87065837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).