(2S)-2-(methoxymethoxy)propanal

C5H10O3 — CID 10898701

IUPAC(2S)-2-(methoxymethoxy)propanal
SMILESCOCO[C@@H](C)C=O
InChIInChI=1S/C5H10O3/c1-5(3-6)8-4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1
InChIKeyDCVYJILSQVNHOZ-YFKPBYRVSA-N
MW118.13 g/mol
LogP0.19
Rot. Bonds4

About (2S)-2-(methoxymethoxy)propanal

(2S)-2-(methoxymethoxy)propanal (PubChem CID 10898701) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is (2S)-2-(methoxymethoxy)propanal.

Molecular Properties

Compound Name(2S)-2-(methoxymethoxy)propanal
PubChem CID10898701
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name(2S)-2-(methoxymethoxy)propanal
SMILESCOCO[C@@H](C)C=O
InChIInChI=1S/C5H10O3/c1-5(3-6)8-4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1
InChIKeyDCVYJILSQVNHOZ-YFKPBYRVSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethoxy)propanal?
The IUPAC name of (2S)-2-(methoxymethoxy)propanal (CID 10898701) is (2S)-2-(methoxymethoxy)propanal.
What is the SMILES notation for (2S)-2-(methoxymethoxy)propanal?
The canonical SMILES for (2S)-2-(methoxymethoxy)propanal is COCO[C@@H](C)C=O.
What is the InChIKey of (2S)-2-(methoxymethoxy)propanal?
The InChIKey is DCVYJILSQVNHOZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H10O3/c1-5(3-6)8-4-7-2/h3,5H,4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-(methoxymethoxy)propanal?
(2S)-2-(methoxymethoxy)propanal has a molecular weight of 118.13 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethoxy)propanal is sourced from PubChem (CID 10898701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).