3-(1-methoxyethoxy)pentanedial

C8H14O4 — CID 18924490

IUPAC3-(1-methoxyethoxy)pentanedial
SMILESCOC(C)OC(CC=O)CC=O
InChIInChI=1S/C8H14O4/c1-7(11-2)12-8(3-5-9)4-6-10/h5-8H,3-4H2,1-2H3
InChIKeyKFUFIGAAABIMGO-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.54
Rot. Bonds7

About 3-(1-methoxyethoxy)pentanedial

3-(1-methoxyethoxy)pentanedial (PubChem CID 18924490) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(1-methoxyethoxy)pentanedial.

Molecular Properties

Compound Name3-(1-methoxyethoxy)pentanedial
PubChem CID18924490
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name3-(1-methoxyethoxy)pentanedial
SMILESCOC(C)OC(CC=O)CC=O
InChIInChI=1S/C8H14O4/c1-7(11-2)12-8(3-5-9)4-6-10/h5-8H,3-4H2,1-2H3
InChIKeyKFUFIGAAABIMGO-UHFFFAOYSA-N
XLogP0.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.54
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 3-(1-methoxyethoxy)pentanedial?
The IUPAC name of 3-(1-methoxyethoxy)pentanedial (CID 18924490) is 3-(1-methoxyethoxy)pentanedial.
What is the SMILES notation for 3-(1-methoxyethoxy)pentanedial?
The canonical SMILES for 3-(1-methoxyethoxy)pentanedial is COC(C)OC(CC=O)CC=O.
What is the InChIKey of 3-(1-methoxyethoxy)pentanedial?
The InChIKey is KFUFIGAAABIMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-7(11-2)12-8(3-5-9)4-6-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-(1-methoxyethoxy)pentanedial?
3-(1-methoxyethoxy)pentanedial has a molecular weight of 174.20 g/mol, XLogP of 0.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethoxy)pentanedial is sourced from PubChem (CID 18924490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).