5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol

C19H28O5 — CID 139790314

IUPAC5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol
SMILESCCC/C=C/C1(O)OC(COCc2ccccc2)C(OC)CC1O
InChIInChI=1S/C19H28O5/c1-3-4-8-11-19(21)18(20)12-16(22-2)17(24-19)14-23-13-15-9-6-5-7-10-15/h5-11,16-18,20-21H,3-4,12-14H2,1-2H3/b11-8+
InChIKeyVOWCHYNZCZJULX-DHZHZOJOSA-N
MW336.43 g/mol
LogP2.41
Rot. Bonds8

About 5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol

5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol (PubChem CID 139790314) has the molecular formula C19H28O5 and a molecular weight of 336.43 g/mol. Its IUPAC name is 5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol.

Molecular Properties

Compound Name5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol
PubChem CID139790314
Molecular FormulaC19H28O5
Molecular Weight336.43 g/mol
Exact Mass336.19
IUPAC Name5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol
SMILESCCC/C=C/C1(O)OC(COCc2ccccc2)C(OC)CC1O
InChIInChI=1S/C19H28O5/c1-3-4-8-11-19(21)18(20)12-16(22-2)17(24-19)14-23-13-15-9-6-5-7-10-15/h5-11,16-18,20-21H,3-4,12-14H2,1-2H3/b11-8+
InChIKeyVOWCHYNZCZJULX-DHZHZOJOSA-N
XLogP2.41
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,5R,6S)-2-(hydroxymethyl)-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol
CID 11675149
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
4-fluoro-2-(phenylmethoxymethyl)oxolane-3,4-diol
CID 142669372
(3R,4S,5R,6R)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 101091855
(4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol
CID 159970118
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 22979812
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 14374475
(2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10828905
(3R,4S,5R,6R)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 14445991
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
methyl (2R,5R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylate
CID 135042253

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol?
The IUPAC name of 5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol (CID 139790314) is 5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol.
What is the SMILES notation for 5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol?
The canonical SMILES for 5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol is CCC/C=C/C1(O)OC(COCc2ccccc2)C(OC)CC1O.
What is the InChIKey of 5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol?
The InChIKey is VOWCHYNZCZJULX-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H28O5/c1-3-4-8-11-19(21)18(20)12-16(22-2)17(24-19)14-23-13-15-9-6-5-7-10-15/h5-11,16-18,20-21H,3-4,12-14H2,1-2H3/b11-8+.
What are the key properties of 5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol?
5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol has a molecular weight of 336.43 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(E)-pent-1-enyl]-6-(phenylmethoxymethyl)oxane-2,3-diol is sourced from PubChem (CID 139790314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).