2-(2-methoxyethoxymethoxy)propanal

C7H14O4 — CID 13202440

IUPAC2-(2-methoxyethoxymethoxy)propanal
SMILESCOCCOCOC(C)C=O
InChIInChI=1S/C7H14O4/c1-7(5-8)11-6-10-4-3-9-2/h5,7H,3-4,6H2,1-2H3
InChIKeyRIGIJUJJGUTUKS-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.21
Rot. Bonds7

About 2-(2-methoxyethoxymethoxy)propanal

2-(2-methoxyethoxymethoxy)propanal (PubChem CID 13202440) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethoxy)propanal.

Molecular Properties

Compound Name2-(2-methoxyethoxymethoxy)propanal
PubChem CID13202440
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name2-(2-methoxyethoxymethoxy)propanal
SMILESCOCCOCOC(C)C=O
InChIInChI=1S/C7H14O4/c1-7(5-8)11-6-10-4-3-9-2/h5,7H,3-4,6H2,1-2H3
InChIKeyRIGIJUJJGUTUKS-UHFFFAOYSA-N
XLogP0.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.21
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(methoxymethoxy)propanal
CID 10898701
4-(2-methoxyethoxymethoxy)pent-2-en-1-ol
CID 71346102
1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine
CID 87791179
(E,3S,6S)-6-(2-methoxyethoxymethoxy)-3-phenylhept-4-enoic acid
CID 100924631
[(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate
CID 10615961
2-(2-methoxyethoxymethoxy)-6-methylheptane
CID 12653649
(2S,3S)-3-[(1S,2R)-1-(2-methoxyethoxymethoxy)-2-methylbut-3-enyl]oxirane-2-carbaldehyde
CID 95565609
methyl (3S,4S)-3-hydroxy-4-(2-methoxyethoxymethoxy)pentanoate
CID 14201885
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)acetaldehyde
CID 11149311
3-(methoxymethoxy)-2-methylpropanal
CID 15597941
N-[(Z,3S,6S)-6-(2-methoxyethoxymethoxy)-2-methylhept-4-en-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 23240652
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethoxy)propanal?
The IUPAC name of 2-(2-methoxyethoxymethoxy)propanal (CID 13202440) is 2-(2-methoxyethoxymethoxy)propanal.
What is the SMILES notation for 2-(2-methoxyethoxymethoxy)propanal?
The canonical SMILES for 2-(2-methoxyethoxymethoxy)propanal is COCCOCOC(C)C=O.
What is the InChIKey of 2-(2-methoxyethoxymethoxy)propanal?
The InChIKey is RIGIJUJJGUTUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-7(5-8)11-6-10-4-3-9-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxymethoxy)propanal?
2-(2-methoxyethoxymethoxy)propanal has a molecular weight of 162.19 g/mol, XLogP of 0.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethoxy)propanal is sourced from PubChem (CID 13202440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).