2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde

C7H12O3 — CID 90802130

IUPAC2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde
SMILESC=C[C@@H](COC)OCC=O
InChIInChI=1S/C7H12O3/c1-3-7(6-9-2)10-5-4-8/h3-4,7H,1,5-6H2,2H3/t7-/m0/s1
InChIKeyMVBGVFWAKWSJFW-ZETCQYMHSA-N
MW144.17 g/mol
LogP0.40
Rot. Bonds6

About 2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde

2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde (PubChem CID 90802130) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde.

Molecular Properties

Compound Name2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde
PubChem CID90802130
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde
SMILESC=C[C@@H](COC)OCC=O
InChIInChI=1S/C7H12O3/c1-3-7(6-9-2)10-5-4-8/h3-4,7H,1,5-6H2,2H3/t7-/m0/s1
InChIKeyMVBGVFWAKWSJFW-ZETCQYMHSA-N
XLogP0.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-but-3-en-2-yloxyacetate
CID 13584105
2-Pent-4-en-2-yloxyacetaldehyde
CID 10419199
(2S)-2-methoxybut-3-enal
CID 11194297
2-Prop-2-enoxypropanal
CID 15074887
2,3-Dimethoxypent-4-enal
CID 20654322
2-Methoxybut-3-enal
CID 57147295
2-(2-Methoxybut-3-enoxy)acetaldehyde
CID 58405991
2-[(2R)-2-(methoxymethoxy)but-3-enoxy]acetaldehyde
CID 58406124
1-But-3-en-2-yloxypropan-2-one
CID 88849350
2-[(2S)-pent-4-en-2-yl]oxyacetaldehyde
CID 90209244
2-Pent-1-en-3-yloxyacetaldehyde
CID 90250236
2-(1-Prop-2-enoxypropan-2-yloxy)acetaldehyde
CID 90379168

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde?
The IUPAC name of 2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde (CID 90802130) is 2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde.
What is the SMILES notation for 2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde?
The canonical SMILES for 2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde is C=C[C@@H](COC)OCC=O.
What is the InChIKey of 2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde?
The InChIKey is MVBGVFWAKWSJFW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-7(6-9-2)10-5-4-8/h3-4,7H,1,5-6H2,2H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde?
2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde has a molecular weight of 144.17 g/mol, XLogP of 0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methoxybut-3-en-2-yl]oxyacetaldehyde is sourced from PubChem (CID 90802130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).