2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane

C26H30O3 — CID 139677646

IUPAC2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane
SMILESCC=CC(Cc1ccccc1)(OC(C=CC)(Cc1ccccc1)C1CO1)C1CO1
InChIInChI=1S/C26H30O3/c1-3-15-25(23-19-27-23,17-21-11-7-5-8-12-21)29-26(16-4-2,24-20-28-24)18-22-13-9-6-10-14-22/h3-16,23-24H,17-20H2,1-2H3
InChIKeyHKPFCXKJSWXYQA-UHFFFAOYSA-N
MW390.52 g/mol
LogP4.92
Rot. Bonds10

About 2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane

2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane (PubChem CID 139677646) has the molecular formula C26H30O3 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane.

Molecular Properties

Compound Name2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane
PubChem CID139677646
Molecular FormulaC26H30O3
Molecular Weight390.52 g/mol
Exact Mass390.22
IUPAC Name2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane
SMILESCC=CC(Cc1ccccc1)(OC(C=CC)(Cc1ccccc1)C1CO1)C1CO1
InChIInChI=1S/C26H30O3/c1-3-15-25(23-19-27-23,17-21-11-7-5-8-12-21)29-26(16-4-2,24-20-28-24)18-22-13-9-6-10-14-22/h3-16,23-24H,17-20H2,1-2H3
InChIKeyHKPFCXKJSWXYQA-UHFFFAOYSA-N
XLogP4.92
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane with MolForge

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Related Compounds

2-[3-[3-(oxiran-2-yl)hex-4-en-3-yloxy]hex-4-en-3-yl]oxirane
CID 141162362
2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane
CID 139632113
2-(oxiran-2-yl)-1-phenylpropan-2-amine
CID 87554885
[(E)-2,2-dimethylpent-3-enyl]benzene
CID 10487473
(2R)-2-[(2S)-2-methyl-1-phenylmethoxybut-3-en-2-yl]oxirane
CID 11830926
(2S)-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxirane
CID 11020033
(3R,3aR,6R,6aR)-3-phenylmethoxy-6-[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 11033116
5-(2-methyl-1-phenylpropan-2-yl)-1,3-oxathiolane
CID 11009562
tert-butyl N-[2-(oxiran-2-yl)-1-phenylpropan-2-yl]carbamate
CID 87172993
2-(2-methyl-1-phenylpropan-2-yl)-1,3-dioxane
CID 11971167
(2R,5S)-5-benzyl-2-methyloxane
CID 15352618
(E)-1-[(2S,4S)-2,4-dibenzyl-1,3-oxazolidin-3-yl]but-2-en-1-one
CID 139054022

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane?
The IUPAC name of 2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane (CID 139677646) is 2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane.
What is the SMILES notation for 2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane?
The canonical SMILES for 2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane is CC=CC(Cc1ccccc1)(OC(C=CC)(Cc1ccccc1)C1CO1)C1CO1.
What is the InChIKey of 2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane?
The InChIKey is HKPFCXKJSWXYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O3/c1-3-15-25(23-19-27-23,17-21-11-7-5-8-12-21)29-26(16-4-2,24-20-28-24)18-22-13-9-6-10-14-22/h3-16,23-24H,17-20H2,1-2H3.
What are the key properties of 2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane?
2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane has a molecular weight of 390.52 g/mol, XLogP of 4.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane is sourced from PubChem (CID 139677646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).