methyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate

C19H26O6 — CID 11393976

IUPACmethyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate
SMILESCOC(=O)/C=C/C[C@H]1C[C@@H](OCc2ccc(OC)cc2)CC(OC)O1
InChIInChI=1S/C19H26O6/c1-21-15-9-7-14(8-10-15)13-24-17-11-16(25-19(12-17)23-3)5-4-6-18(20)22-2/h4,6-10,16-17,19H,5,11-13H2,1-3H3/b6-4+/t16-,17+,19?/m0/s1
InChIKeyVCVGYWAHYNJRQC-XLDJXTQUSA-N
MW350.41 g/mol
LogP2.85
Rot. Bonds8

About methyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate

methyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate (PubChem CID 11393976) has the molecular formula C19H26O6 and a molecular weight of 350.41 g/mol. Its IUPAC name is methyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate
PubChem CID11393976
Molecular FormulaC19H26O6
Molecular Weight350.41 g/mol
Exact Mass350.17
IUPAC Namemethyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate
SMILESCOC(=O)/C=C/C[C@H]1C[C@@H](OCc2ccc(OC)cc2)CC(OC)O1
InChIInChI=1S/C19H26O6/c1-21-15-9-7-14(8-10-15)13-24-17-11-16(25-19(12-17)23-3)5-4-6-18(20)22-2/h4,6-10,16-17,19H,5,11-13H2,1-3H3/b6-4+/t16-,17+,19?/m0/s1
InChIKeyVCVGYWAHYNJRQC-XLDJXTQUSA-N
XLogP2.85
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

methyl (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-methyl-1,3-dioxan-4-yl]but-2-enoate
CID 135027244
methyl (Z)-4-[(2S,6R)-2-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]-3,6-dihydro-2H-pyran-6-yl]but-2-enoate
CID 11003283
3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
CID 118050407
tert-butyl (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]oxan-2-yl]but-2-enoate
CID 134843483
tert-butyl (E)-4-[(2S,4R,6R)-4-hydroxy-6-[(2R)-3-[(4-methoxyphenyl)methoxy]-2-methylpropyl]oxan-2-yl]but-2-enoate
CID 134843264
ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
CID 118050829
(1R,2R,4S)-2-ethyl-4-[(4-methoxyphenyl)methoxy]cyclopentane-1-carboxylic acid
CID 125472318
(2S,4R,6S)-4-[(4-methoxyphenyl)methoxy]-6-phenyloxane-2-carbaldehyde
CID 44517861
ethyl (Z)-3-[(2S,3S,4R,6S)-6-methoxy-4-[(4-methoxyphenyl)methoxy]-3-methyloxan-2-yl]-2-methylprop-2-enoate
CID 10883378
(4S,5S,6R)-5-[(4-methoxyphenyl)methoxy]-6-methyloxane-2,4-diol
CID 122398669
[(2R,3S,4R,6S)-6-methoxy-3-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyoxan-2-yl]methanol
CID 56965248
methyl (E)-4-[(3R,4Z)-4-[(4-methoxyphenyl)methylidene]oxolan-3-yl]but-2-enoate
CID 135015287

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate?
The IUPAC name of methyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate (CID 11393976) is methyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate.
What is the SMILES notation for methyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate?
The canonical SMILES for methyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate is COC(=O)/C=C/C[C@H]1C[C@@H](OCc2ccc(OC)cc2)CC(OC)O1.
What is the InChIKey of methyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate?
The InChIKey is VCVGYWAHYNJRQC-XLDJXTQUSA-N. The full InChI is InChI=1S/C19H26O6/c1-21-15-9-7-14(8-10-15)13-24-17-11-16(25-19(12-17)23-3)5-4-6-18(20)22-2/h4,6-10,16-17,19H,5,11-13H2,1-3H3/b6-4+/t16-,17+,19?/m0/s1.
What are the key properties of methyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate?
methyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate has a molecular weight of 350.41 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[(2S,4R)-6-methoxy-4-[(4-methoxyphenyl)methoxy]oxan-2-yl]but-2-enoate is sourced from PubChem (CID 11393976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).