2,2-diethoxy-1-methoxyethanol

C7H16O4 — CID 123958282

IUPAC2,2-diethoxy-1-methoxyethanol
SMILESCCOC(OCC)C(O)OC
InChIInChI=1S/C7H16O4/c1-4-10-7(11-5-2)6(8)9-3/h6-8H,4-5H2,1-3H3
InChIKeyOCAABGIZUTUMGP-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.35
Rot. Bonds6

About 2,2-diethoxy-1-methoxyethanol

2,2-diethoxy-1-methoxyethanol (PubChem CID 123958282) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,2-diethoxy-1-methoxyethanol.

Molecular Properties

Compound Name2,2-diethoxy-1-methoxyethanol
PubChem CID123958282
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name2,2-diethoxy-1-methoxyethanol
SMILESCCOC(OCC)C(O)OC
InChIInChI=1S/C7H16O4/c1-4-10-7(11-5-2)6(8)9-3/h6-8H,4-5H2,1-3H3
InChIKeyOCAABGIZUTUMGP-UHFFFAOYSA-N
XLogP0.35
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2,2-diethoxy-1-methoxyethanol?
The IUPAC name of 2,2-diethoxy-1-methoxyethanol (CID 123958282) is 2,2-diethoxy-1-methoxyethanol.
What is the SMILES notation for 2,2-diethoxy-1-methoxyethanol?
The canonical SMILES for 2,2-diethoxy-1-methoxyethanol is CCOC(OCC)C(O)OC.
What is the InChIKey of 2,2-diethoxy-1-methoxyethanol?
The InChIKey is OCAABGIZUTUMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4/c1-4-10-7(11-5-2)6(8)9-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,2-diethoxy-1-methoxyethanol?
2,2-diethoxy-1-methoxyethanol has a molecular weight of 164.20 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-methoxyethanol is sourced from PubChem (CID 123958282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).