(2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane

C22H26O4 — CID 46914368

IUPAC(2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane
SMILESC=C[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O1
InChIInChI=1S/C22H26O4/c1-3-19-14-20(24-15-17-10-6-4-7-11-17)21(22(23-2)26-19)25-16-18-12-8-5-9-13-18/h3-13,19-22H,1,14-16H2,2H3/t19-,20+,21-,22+/m1/s1
InChIKeyYGGAYELGHXQMLB-MBDNFAEBSA-N
MW354.45 g/mol
LogP4.10
Rot. Bonds8

About (2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane

(2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane (PubChem CID 46914368) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane
PubChem CID46914368
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name(2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane
SMILESC=C[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O1
InChIInChI=1S/C22H26O4/c1-3-19-14-20(24-15-17-10-6-4-7-11-17)21(22(23-2)26-19)25-16-18-12-8-5-9-13-18/h3-13,19-22H,1,14-16H2,2H3/t19-,20+,21-,22+/m1/s1
InChIKeyYGGAYELGHXQMLB-MBDNFAEBSA-N
XLogP4.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,6S)-2-methoxy-6-(methoxymethyl)-3,4-bis(phenylmethoxy)oxane
CID 70223626
(2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 14216835
(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11037694
(2R,3S,5R)-5-ethenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11771686
(2S,3S,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-prop-2-enyloxan-3-ol
CID 102372231
(2S,3R,4S,6S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxane
CID 70186984
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane
CID 14133730
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetonitrile
CID 135027342
(1R)-1-[(2S,3R,5S)-3,6-dimethoxy-5-phenylmethoxyoxan-2-yl]prop-2-en-1-ol
CID 170851181

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane?
The IUPAC name of (2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane (CID 46914368) is (2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane.
What is the SMILES notation for (2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane?
The canonical SMILES for (2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane is C=C[C@@H]1C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O1.
What is the InChIKey of (2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane?
The InChIKey is YGGAYELGHXQMLB-MBDNFAEBSA-N. The full InChI is InChI=1S/C22H26O4/c1-3-19-14-20(24-15-17-10-6-4-7-11-17)21(22(23-2)26-19)25-16-18-12-8-5-9-13-18/h3-13,19-22H,1,14-16H2,2H3/t19-,20+,21-,22+/m1/s1.
What are the key properties of (2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane?
(2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane has a molecular weight of 354.45 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane is sourced from PubChem (CID 46914368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).