3-(2-propan-2-yloxyethoxy)propanal

C8H16O3 — CID 63040405

IUPAC3-(2-propan-2-yloxyethoxy)propanal
SMILESCC(C)OCCOCCC=O
InChIInChI=1S/C8H16O3/c1-8(2)11-7-6-10-5-3-4-9/h4,8H,3,5-7H2,1-2H3
InChIKeyVRICUTZRJIMHMI-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.02
Rot. Bonds7

About 3-(2-propan-2-yloxyethoxy)propanal

3-(2-propan-2-yloxyethoxy)propanal (PubChem CID 63040405) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-(2-propan-2-yloxyethoxy)propanal.

Molecular Properties

Compound Name3-(2-propan-2-yloxyethoxy)propanal
PubChem CID63040405
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-(2-propan-2-yloxyethoxy)propanal
SMILESCC(C)OCCOCCC=O
InChIInChI=1S/C8H16O3/c1-8(2)11-7-6-10-5-3-4-9/h4,8H,3,5-7H2,1-2H3
InChIKeyVRICUTZRJIMHMI-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
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
3-[2-(3-methylbutoxy)ethoxy]propanal
CID 122463238
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
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347
2-[2-(iodomethoxy)ethoxy]propane
CID 118312444
1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
CID 130291288
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
3-[2-(2-butoxyethoxy)ethoxy]propanal
CID 158726364
3-[2-[3-(2-methoxyethoxy)-2-(2-methoxyethoxymethyl)propoxy]ethoxy]propanal
CID 123354844
3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
CID 122674478
1,3-bis(2-propan-2-yloxyethoxy)-2,2-bis(2-propan-2-yloxyethoxymethyl)propane
CID 54403721

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yloxyethoxy)propanal?
The IUPAC name of 3-(2-propan-2-yloxyethoxy)propanal (CID 63040405) is 3-(2-propan-2-yloxyethoxy)propanal.
What is the SMILES notation for 3-(2-propan-2-yloxyethoxy)propanal?
The canonical SMILES for 3-(2-propan-2-yloxyethoxy)propanal is CC(C)OCCOCCC=O.
What is the InChIKey of 3-(2-propan-2-yloxyethoxy)propanal?
The InChIKey is VRICUTZRJIMHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2)11-7-6-10-5-3-4-9/h4,8H,3,5-7H2,1-2H3.
What are the key properties of 3-(2-propan-2-yloxyethoxy)propanal?
3-(2-propan-2-yloxyethoxy)propanal has a molecular weight of 160.21 g/mol, XLogP of 1.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yloxyethoxy)propanal is sourced from PubChem (CID 63040405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).