2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde

C8H14O3 — CID 90379168

IUPAC2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde
SMILESC=CCOCC(C)OCC=O
InChIInChI=1S/C8H14O3/c1-3-5-10-7-8(2)11-6-4-9/h3-4,8H,1,5-7H2,2H3
InChIKeyQAZOFMYGCBGKDO-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.79
Rot. Bonds7

About 2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde

2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde (PubChem CID 90379168) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde.

Molecular Properties

Compound Name2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde
PubChem CID90379168
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde
SMILESC=CCOCC(C)OCC=O
InChIInChI=1S/C8H14O3/c1-3-5-10-7-8(2)11-6-4-9/h3-4,8H,1,5-7H2,2H3
InChIKeyQAZOFMYGCBGKDO-UHFFFAOYSA-N
XLogP0.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.79
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde?
The IUPAC name of 2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde (CID 90379168) is 2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde.
What is the SMILES notation for 2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde?
The canonical SMILES for 2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde is C=CCOCC(C)OCC=O.
What is the InChIKey of 2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde?
The InChIKey is QAZOFMYGCBGKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-5-10-7-8(2)11-6-4-9/h3-4,8H,1,5-7H2,2H3.
What are the key properties of 2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde?
2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde has a molecular weight of 158.20 g/mol, XLogP of 0.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enoxypropan-2-yloxy)acetaldehyde is sourced from PubChem (CID 90379168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).