(E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol

C15H20O2 — CID 162415284

IUPAC(E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol
SMILESOC/C=C/CCC[C@H]1O[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H20O2/c16-11-7-2-1-6-10-14-15(17-14)12-13-8-4-3-5-9-13/h2-5,7-9,14-16H,1,6,10-12H2/b7-2+/t14-,15-/m1/s1
InChIKeyXKKMMELSKRUAPQ-FNKCSIJBSA-N
MW232.32 g/mol
LogP2.72
Rot. Bonds7

About (E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol

(E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol (PubChem CID 162415284) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol.

Molecular Properties

Compound Name(E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol
PubChem CID162415284
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol
SMILESOC/C=C/CCC[C@H]1O[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H20O2/c16-11-7-2-1-6-10-14-15(17-14)12-13-8-4-3-5-9-13/h2-5,7-9,14-16H,1,6,10-12H2/b7-2+/t14-,15-/m1/s1
InChIKeyXKKMMELSKRUAPQ-FNKCSIJBSA-N
XLogP2.72
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-7-[(2R,3R)-3-benzyloxiran-2-yl]hept-3-en-2-ol
CID 162415511
(E)-7-(3-benzyloxiran-2-yl)hept-3-en-2-ol
CID 102582412
(2R,3R,4R,5S,6R)-2-benzyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10332525
(E)-7-[3-[4,4-bis(phenylmethoxy)butyl]oxiran-2-yl]hept-3-en-2-ol
CID 102582418
7-[(1R,2R,3S,4S)-3-(3-hydroxy-4-phenylbutyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-2-en-1-ol
CID 54539932
7-phenylhepta-2,4-dien-1-ol
CID 123622539
2-pentadec-8-enyl-3-(phenoxymethyl)oxirane
CID 54155804
(E)-8-phenylmethoxyhexadec-2-en-1-ol
CID 68638312
N,N,3-tribenzyloxirane-2-carboxamide
CID 134872311
(E)-5-[(1R,2S)-2-phenylmethoxycyclohexyl]pent-2-en-1-ol
CID 6442590
(E,6S)-6-[(2S,6R)-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-6-yl]hex-2-ene-1,6-diol
CID 44541660
[(4S,5S)-5-benzyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 118379229

Frequently Asked Questions

What is the IUPAC name of (E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol?
The IUPAC name of (E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol (CID 162415284) is (E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol.
What is the SMILES notation for (E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol?
The canonical SMILES for (E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol is OC/C=C/CCC[C@H]1O[C@@H]1Cc1ccccc1.
What is the InChIKey of (E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol?
The InChIKey is XKKMMELSKRUAPQ-FNKCSIJBSA-N. The full InChI is InChI=1S/C15H20O2/c16-11-7-2-1-6-10-14-15(17-14)12-13-8-4-3-5-9-13/h2-5,7-9,14-16H,1,6,10-12H2/b7-2+/t14-,15-/m1/s1.
What are the key properties of (E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol?
(E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol has a molecular weight of 232.32 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[(2R,3R)-3-benzyloxiran-2-yl]hex-2-en-1-ol is sourced from PubChem (CID 162415284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).