2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol

C13H26O6 — CID 87248467

IUPAC2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol
SMILESCCOC(C)=C(OCC)OCCOCCOCCO
InChIInChI=1S/C13H26O6/c1-4-17-12(3)13(18-5-2)19-11-10-16-9-8-15-7-6-14/h14H,4-11H2,1-3H3
InChIKeyCNWRULAUOUYESL-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.29
Rot. Bonds13

About 2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol

2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol (PubChem CID 87248467) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol
PubChem CID87248467
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol
SMILESCCOC(C)=C(OCC)OCCOCCOCCO
InChIInChI=1S/C13H26O6/c1-4-17-12(3)13(18-5-2)19-11-10-16-9-8-15-7-6-14/h14H,4-11H2,1-3H3
InChIKeyCNWRULAUOUYESL-UHFFFAOYSA-N
XLogP1.29
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-Hydroxyethoxy)butan-2-yloxy]ethanol
CID 58319894
2,2'-(Propane-2,2-diylbis(oxy))bis(ethan-1-ol)
CID 19366554
1-[(2-Methyl-1,4,7,10,13-pentaoxacyclopentadec-2-yl)oxy]propan-2-ol
CID 20444449
2-[1,1-Bis(2-hydroxyethoxy)propoxy]ethanol
CID 22365647
1,2,3,3-Tetraethoxyprop-2-en-1-ol
CID 53672269
2-(2-Methoxy-2,2-dipropoxyethoxy)ethanol
CID 53675115
1-[1,1-Bis(2-hydroxypropoxy)propoxy]propan-2-ol
CID 53954587
1-[1,1-Bis(2-hydroxypropoxy)prop-1-en-2-yloxy]propan-2-ol
CID 54270104
1,1,2,3-Tetraethoxyprop-2-en-1-ol
CID 54270540
2,3,3-Triethoxyprop-2-en-1-ol
CID 54359045
1,1,1-Triethoxypropan-2-ol
CID 87156976
2-[1-(2-Hydroxyethoxy)-2-methylprop-1-enoxy]ethanol
CID 87234189

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol (CID 87248467) is 2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol is CCOC(C)=C(OCC)OCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol?
The InChIKey is CNWRULAUOUYESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6/c1-4-17-12(3)13(18-5-2)19-11-10-16-9-8-15-7-6-14/h14H,4-11H2,1-3H3.
What are the key properties of 2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol?
2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol has a molecular weight of 278.34 g/mol, XLogP of 1.29, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,2-diethoxyprop-1-enoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 87248467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).