(E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol

C14H22O4 — CID 11817654

IUPAC(E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol
SMILESCC(C)O[C@H]1C=CC[C@H](/C=C/[C@@](C)(O)[C@H]2CO2)O1
InChIInChI=1S/C14H22O4/c1-10(2)17-13-6-4-5-11(18-13)7-8-14(3,15)12-9-16-12/h4,6-8,10-13,15H,5,9H2,1-3H3/b8-7+/t11-,12-,13-,14-/m1/s1
InChIKeyMQMSNLXEPGPLKS-SDUGENJDSA-N
MW254.33 g/mol
LogP1.79
Rot. Bonds5

About (E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol

(E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol (PubChem CID 11817654) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is (E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol
PubChem CID11817654
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name(E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol
SMILESCC(C)O[C@H]1C=CC[C@H](/C=C/[C@@](C)(O)[C@H]2CO2)O1
InChIInChI=1S/C14H22O4/c1-10(2)17-13-6-4-5-11(18-13)7-8-14(3,15)12-9-16-12/h4,6-8,10-13,15H,5,9H2,1-3H3/b8-7+/t11-,12-,13-,14-/m1/s1
InChIKeyMQMSNLXEPGPLKS-SDUGENJDSA-N
XLogP1.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2,3-dideoxy-D-hex-2-enopyranoside
CID 97305
6-Ethoxy-3,6-dihydro-3-hydroxy-2H-pyran-2-methanol
CID 271273
(2R,3S,6S)-2-(hydroxymethyl)-6-isopentyloxy-3,6-dihydro-2H-pyran-3-ol
CID 54580323
6-hex-5-enoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 388311
2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 360943
2H-Pyran-2-methanol, 3,6-dihydro-3-hydroxy-6-(1-methylethoxy)-
CID 546113
[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 11788550
(2R,3S,6S)-2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 10329559
2-(2,5-dimethoxy-2H-furan-5-yl)propan-2-ol
CID 139644805
(2S,3S,6S)-2-(iodomethyl)-6-methoxy-3-methyl-2,6-dihydropyran-3-ol
CID 11346632
(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol
CID 102514102
[(2S,3S,6S)-3-methyl-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 10261846

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol?
The IUPAC name of (E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol (CID 11817654) is (E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol.
What is the SMILES notation for (E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol?
The canonical SMILES for (E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol is CC(C)O[C@H]1C=CC[C@H](/C=C/[C@@](C)(O)[C@H]2CO2)O1.
What is the InChIKey of (E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol?
The InChIKey is MQMSNLXEPGPLKS-SDUGENJDSA-N. The full InChI is InChI=1S/C14H22O4/c1-10(2)17-13-6-4-5-11(18-13)7-8-14(3,15)12-9-16-12/h4,6-8,10-13,15H,5,9H2,1-3H3/b8-7+/t11-,12-,13-,14-/m1/s1.
What are the key properties of (E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol?
(E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol has a molecular weight of 254.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-[(2R)-oxiran-2-yl]-4-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]but-3-en-2-ol is sourced from PubChem (CID 11817654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).