1,1-dimethoxyethane;2-methoxyacetaldehyde

C7H16O4 — CID 87085944

IUPAC1,1-dimethoxyethane;2-methoxyacetaldehyde
SMILESCOC(C)OC.COCC=O
InChIInChI=1S/C4H10O2.C3H6O2/c1-4(5-2)6-3;1-5-3-2-4/h4H,1-3H3;2H,3H2,1H3
InChIKeyAPROGJQUQRWODA-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.46
Rot. Bonds4

About 1,1-dimethoxyethane;2-methoxyacetaldehyde

1,1-dimethoxyethane;2-methoxyacetaldehyde (PubChem CID 87085944) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1,1-dimethoxyethane;2-methoxyacetaldehyde.

Molecular Properties

Compound Name1,1-dimethoxyethane;2-methoxyacetaldehyde
PubChem CID87085944
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name1,1-dimethoxyethane;2-methoxyacetaldehyde
SMILESCOC(C)OC.COCC=O
InChIInChI=1S/C4H10O2.C3H6O2/c1-4(5-2)6-3;1-5-3-2-4/h4H,1-3H3;2H,3H2,1H3
InChIKeyAPROGJQUQRWODA-UHFFFAOYSA-N
XLogP0.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-dimethoxyethane;2-methoxyacetaldehyde?
The IUPAC name of 1,1-dimethoxyethane;2-methoxyacetaldehyde (CID 87085944) is 1,1-dimethoxyethane;2-methoxyacetaldehyde.
What is the SMILES notation for 1,1-dimethoxyethane;2-methoxyacetaldehyde?
The canonical SMILES for 1,1-dimethoxyethane;2-methoxyacetaldehyde is COC(C)OC.COCC=O.
What is the InChIKey of 1,1-dimethoxyethane;2-methoxyacetaldehyde?
The InChIKey is APROGJQUQRWODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C3H6O2/c1-4(5-2)6-3;1-5-3-2-4/h4H,1-3H3;2H,3H2,1H3.
What are the key properties of 1,1-dimethoxyethane;2-methoxyacetaldehyde?
1,1-dimethoxyethane;2-methoxyacetaldehyde has a molecular weight of 164.20 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethane;2-methoxyacetaldehyde is sourced from PubChem (CID 87085944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).