1-[2-(2-ethoxypropoxy)propoxy]hexane

C14H30O3 — CID 135326050

IUPAC1-[2-(2-ethoxypropoxy)propoxy]hexane
SMILESCCCCCCOCC(C)OCC(C)OCC
InChIInChI=1S/C14H30O3/c1-5-7-8-9-10-15-11-13(3)17-12-14(4)16-6-2/h13-14H,5-12H2,1-4H3
InChIKeyOCZHFBSQDFPNOP-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.41
Rot. Bonds12

About 1-[2-(2-ethoxypropoxy)propoxy]hexane

1-[2-(2-ethoxypropoxy)propoxy]hexane (PubChem CID 135326050) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-[2-(2-ethoxypropoxy)propoxy]hexane.

Molecular Properties

Compound Name1-[2-(2-ethoxypropoxy)propoxy]hexane
PubChem CID135326050
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name1-[2-(2-ethoxypropoxy)propoxy]hexane
SMILESCCCCCCOCC(C)OCC(C)OCC
InChIInChI=1S/C14H30O3/c1-5-7-8-9-10-15-11-13(3)17-12-14(4)16-6-2/h13-14H,5-12H2,1-4H3
InChIKeyOCZHFBSQDFPNOP-UHFFFAOYSA-N
XLogP3.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.41
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxypropoxy)propoxy]hexane?
The IUPAC name of 1-[2-(2-ethoxypropoxy)propoxy]hexane (CID 135326050) is 1-[2-(2-ethoxypropoxy)propoxy]hexane.
What is the SMILES notation for 1-[2-(2-ethoxypropoxy)propoxy]hexane?
The canonical SMILES for 1-[2-(2-ethoxypropoxy)propoxy]hexane is CCCCCCOCC(C)OCC(C)OCC.
What is the InChIKey of 1-[2-(2-ethoxypropoxy)propoxy]hexane?
The InChIKey is OCZHFBSQDFPNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-5-7-8-9-10-15-11-13(3)17-12-14(4)16-6-2/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-[2-(2-ethoxypropoxy)propoxy]hexane?
1-[2-(2-ethoxypropoxy)propoxy]hexane has a molecular weight of 246.39 g/mol, XLogP of 3.41, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxypropoxy)propoxy]hexane is sourced from PubChem (CID 135326050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).