1,1,1,2,2,2-hexaethoxyethane

C14H30O6 — CID 3050085

IUPAC1,1,1,2,2,2-hexaethoxyethane
SMILESCCOC(OCC)(OCC)C(OCC)(OCC)OCC
InChIInChI=1S/C14H30O6/c1-7-15-13(16-8-2,17-9-3)14(18-10-4,19-11-5)20-12-6/h7-12H2,1-6H3
InChIKeyUVHGGILPAMVDJM-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.51
Rot. Bonds13

About 1,1,1,2,2,2-hexaethoxyethane

1,1,1,2,2,2-hexaethoxyethane (PubChem CID 3050085) has the molecular formula C14H30O6 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1,1,1,2,2,2-hexaethoxyethane.

Molecular Properties

Compound Name1,1,1,2,2,2-hexaethoxyethane
PubChem CID3050085
Molecular FormulaC14H30O6
Molecular Weight294.39 g/mol
Exact Mass294.20
IUPAC Name1,1,1,2,2,2-hexaethoxyethane
SMILESCCOC(OCC)(OCC)C(OCC)(OCC)OCC
InChIInChI=1S/C14H30O6/c1-7-15-13(16-8-2,17-9-3)14(18-10-4,19-11-5)20-12-6/h7-12H2,1-6H3
InChIKeyUVHGGILPAMVDJM-UHFFFAOYSA-N
XLogP2.51
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,2-hexaethoxyethane?
The IUPAC name of 1,1,1,2,2,2-hexaethoxyethane (CID 3050085) is 1,1,1,2,2,2-hexaethoxyethane.
What is the SMILES notation for 1,1,1,2,2,2-hexaethoxyethane?
The canonical SMILES for 1,1,1,2,2,2-hexaethoxyethane is CCOC(OCC)(OCC)C(OCC)(OCC)OCC.
What is the InChIKey of 1,1,1,2,2,2-hexaethoxyethane?
The InChIKey is UVHGGILPAMVDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6/c1-7-15-13(16-8-2,17-9-3)14(18-10-4,19-11-5)20-12-6/h7-12H2,1-6H3.
What are the key properties of 1,1,1,2,2,2-hexaethoxyethane?
1,1,1,2,2,2-hexaethoxyethane has a molecular weight of 294.39 g/mol, XLogP of 2.51, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,2-hexaethoxyethane is sourced from PubChem (CID 3050085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).