(E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal

C20H22O4 — CID 11313391

IUPAC(E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal
SMILESCO/C=C/[C@@H](OCc1ccccc1)[C@@H](C=O)OCc1ccccc1
InChIInChI=1S/C20H22O4/c1-22-13-12-19(23-15-17-8-4-2-5-9-17)20(14-21)24-16-18-10-6-3-7-11-18/h2-14,19-20H,15-16H2,1H3/b13-12+/t19-,20-/m1/s1
InChIKeyMDGLFMCHIVJSRU-OKLSWEBGSA-N
MW326.39 g/mol
LogP3.52
Rot. Bonds10

About (E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal

(E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal (PubChem CID 11313391) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal.

Molecular Properties

Compound Name(E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal
PubChem CID11313391
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal
SMILESCO/C=C/[C@@H](OCc1ccccc1)[C@@H](C=O)OCc1ccccc1
InChIInChI=1S/C20H22O4/c1-22-13-12-19(23-15-17-8-4-2-5-9-17)20(14-21)24-16-18-10-6-3-7-11-18/h2-14,19-20H,15-16H2,1H3/b13-12+/t19-,20-/m1/s1
InChIKeyMDGLFMCHIVJSRU-OKLSWEBGSA-N
XLogP3.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(E,2S,3R)-2,3-bis(phenylmethoxy)hept-4-enal
CID 102023534
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
(2S,3S)-3-methyl-2-phenylmethoxypentanal
CID 86607759
(2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal
CID 52912809
(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492
2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586
3,4-dihydroxy-2-phenylmethoxybutanal
CID 174530051
(2S,3S,4R,5E)-2,3,4-tris(phenylmethoxy)octa-5,7-dienal
CID 101049962
[(2S,3R)-2-[(4-methoxyphenyl)methoxy]-1-oxo-5-phenylpentan-3-yl] formate
CID 162398518
(2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol
CID 6393557
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-phenylmethoxyhexanal
CID 88598218

Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal?
The IUPAC name of (E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal (CID 11313391) is (E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal.
What is the SMILES notation for (E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal?
The canonical SMILES for (E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal is CO/C=C/[C@@H](OCc1ccccc1)[C@@H](C=O)OCc1ccccc1.
What is the InChIKey of (E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal?
The InChIKey is MDGLFMCHIVJSRU-OKLSWEBGSA-N. The full InChI is InChI=1S/C20H22O4/c1-22-13-12-19(23-15-17-8-4-2-5-9-17)20(14-21)24-16-18-10-6-3-7-11-18/h2-14,19-20H,15-16H2,1H3/b13-12+/t19-,20-/m1/s1.
What are the key properties of (E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal?
(E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal has a molecular weight of 326.39 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-5-methoxy-2,3-bis(phenylmethoxy)pent-4-enal is sourced from PubChem (CID 11313391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).