(2S)-2,3-dimethoxypropanal

C5H10O3 — CID 12962856

IUPAC(2S)-2,3-dimethoxypropanal
SMILESCOC[C@@H](C=O)OC
InChIInChI=1S/C5H10O3/c1-7-4-5(3-6)8-2/h3,5H,4H2,1-2H3/t5-/m1/s1
InChIKeyPNENILZGBBXDAG-RXMQYKEDSA-N
MW118.13 g/mol
LogP-0.15
Rot. Bonds4

About (2S)-2,3-dimethoxypropanal

(2S)-2,3-dimethoxypropanal (PubChem CID 12962856) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is (2S)-2,3-dimethoxypropanal.

Molecular Properties

Compound Name(2S)-2,3-dimethoxypropanal
PubChem CID12962856
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name(2S)-2,3-dimethoxypropanal
SMILESCOC[C@@H](C=O)OC
InChIInChI=1S/C5H10O3/c1-7-4-5(3-6)8-2/h3,5H,4H2,1-2H3/t5-/m1/s1
InChIKeyPNENILZGBBXDAG-RXMQYKEDSA-N
XLogP-0.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethoxypropanal?
The IUPAC name of (2S)-2,3-dimethoxypropanal (CID 12962856) is (2S)-2,3-dimethoxypropanal.
What is the SMILES notation for (2S)-2,3-dimethoxypropanal?
The canonical SMILES for (2S)-2,3-dimethoxypropanal is COC[C@@H](C=O)OC.
What is the InChIKey of (2S)-2,3-dimethoxypropanal?
The InChIKey is PNENILZGBBXDAG-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10O3/c1-7-4-5(3-6)8-2/h3,5H,4H2,1-2H3/t5-/m1/s1.
What are the key properties of (2S)-2,3-dimethoxypropanal?
(2S)-2,3-dimethoxypropanal has a molecular weight of 118.13 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethoxypropanal is sourced from PubChem (CID 12962856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).