(2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal

C15H22O6 — CID 11077368

IUPAC(2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal
SMILESCOCO[C@@H](C=O)[C@H](COCc1ccccc1)OCOC
InChIInChI=1S/C15H22O6/c1-17-11-20-14(8-16)15(21-12-18-2)10-19-9-13-6-4-3-5-7-13/h3-8,14-15H,9-12H2,1-2H3/t14-,15-/m0/s1
InChIKeySSTUVDVUFRIQEP-GJZGRUSLSA-N
MW298.33 g/mol
LogP1.38
Rot. Bonds12

About (2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal

(2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal (PubChem CID 11077368) has the molecular formula C15H22O6 and a molecular weight of 298.33 g/mol. Its IUPAC name is (2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal.

Molecular Properties

Compound Name(2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal
PubChem CID11077368
Molecular FormulaC15H22O6
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Name(2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal
SMILESCOCO[C@@H](C=O)[C@H](COCc1ccccc1)OCOC
InChIInChI=1S/C15H22O6/c1-17-11-20-14(8-16)15(21-12-18-2)10-19-9-13-6-4-3-5-7-13/h3-8,14-15H,9-12H2,1-2H3/t14-,15-/m0/s1
InChIKeySSTUVDVUFRIQEP-GJZGRUSLSA-N
XLogP1.38
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal?
The IUPAC name of (2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal (CID 11077368) is (2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal.
What is the SMILES notation for (2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal?
The canonical SMILES for (2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal is COCO[C@@H](C=O)[C@H](COCc1ccccc1)OCOC.
What is the InChIKey of (2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal?
The InChIKey is SSTUVDVUFRIQEP-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H22O6/c1-17-11-20-14(8-16)15(21-12-18-2)10-19-9-13-6-4-3-5-7-13/h3-8,14-15H,9-12H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal?
(2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal has a molecular weight of 298.33 g/mol, XLogP of 1.38, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-bis(methoxymethoxy)-4-phenylmethoxybutanal is sourced from PubChem (CID 11077368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).