3-[2-(2-butoxyethoxy)ethoxy]propanal

C11H22O4 — CID 158726364

IUPAC3-[2-(2-butoxyethoxy)ethoxy]propanal
SMILESCCCCOCCOCCOCCC=O
InChIInChI=1S/C11H22O4/c1-2-3-6-13-8-10-15-11-9-14-7-4-5-12/h5H,2-4,6-11H2,1H3
InChIKeyWGABKERHFJASAC-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.43
Rot. Bonds12

About 3-[2-(2-butoxyethoxy)ethoxy]propanal

3-[2-(2-butoxyethoxy)ethoxy]propanal (PubChem CID 158726364) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 3-[2-(2-butoxyethoxy)ethoxy]propanal.

Molecular Properties

Compound Name3-[2-(2-butoxyethoxy)ethoxy]propanal
PubChem CID158726364
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name3-[2-(2-butoxyethoxy)ethoxy]propanal
SMILESCCCCOCCOCCOCCC=O
InChIInChI=1S/C11H22O4/c1-2-3-6-13-8-10-15-11-9-14-7-4-5-12/h5H,2-4,6-11H2,1H3
InChIKeyWGABKERHFJASAC-UHFFFAOYSA-N
XLogP1.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-heptoxypropanal
CID 59708059
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 118348553
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 129055846
acetaldehyde;1-butoxybutane;propanal
CID 174934477
ethane;tris(4-[2-(4-oxobutoxy)ethoxy]butanal)
CID 158890200
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435331
pentanal;stannane
CID 173131916
1-butoxybutane;N-methylmethanamine
CID 88830911
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
3-(3-silylpropoxy)propanal
CID 174928401
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-butoxyethoxy)ethoxy]propanal?
The IUPAC name of 3-[2-(2-butoxyethoxy)ethoxy]propanal (CID 158726364) is 3-[2-(2-butoxyethoxy)ethoxy]propanal.
What is the SMILES notation for 3-[2-(2-butoxyethoxy)ethoxy]propanal?
The canonical SMILES for 3-[2-(2-butoxyethoxy)ethoxy]propanal is CCCCOCCOCCOCCC=O.
What is the InChIKey of 3-[2-(2-butoxyethoxy)ethoxy]propanal?
The InChIKey is WGABKERHFJASAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-2-3-6-13-8-10-15-11-9-14-7-4-5-12/h5H,2-4,6-11H2,1H3.
What are the key properties of 3-[2-(2-butoxyethoxy)ethoxy]propanal?
3-[2-(2-butoxyethoxy)ethoxy]propanal has a molecular weight of 218.29 g/mol, XLogP of 1.43, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-butoxyethoxy)ethoxy]propanal is sourced from PubChem (CID 158726364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).