2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane

C28H34O5 — CID 139632113

IUPAC2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane
SMILESC=CC(CCOCc1ccccc1)(OC(C=C)(CCOCc1ccccc1)C1CO1)C1CO1
InChIInChI=1S/C28H34O5/c1-3-27(25-21-31-25,15-17-29-19-23-11-7-5-8-12-23)33-28(4-2,26-22-32-26)16-18-30-20-24-13-9-6-10-14-24/h3-14,25-26H,1-2,15-22H2
InChIKeyFMNSLZVFEJMWBU-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.86
Rot. Bonds16

About 2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane

2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane (PubChem CID 139632113) has the molecular formula C28H34O5 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane.

Molecular Properties

Compound Name2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane
PubChem CID139632113
Molecular FormulaC28H34O5
Molecular Weight450.58 g/mol
Exact Mass450.24
IUPAC Name2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane
SMILESC=CC(CCOCc1ccccc1)(OC(C=C)(CCOCc1ccccc1)C1CO1)C1CO1
InChIInChI=1S/C28H34O5/c1-3-27(25-21-31-25,15-17-29-19-23-11-7-5-8-12-23)33-28(4-2,26-22-32-26)16-18-30-20-24-13-9-6-10-14-24/h3-14,25-26H,1-2,15-22H2
InChIKeyFMNSLZVFEJMWBU-UHFFFAOYSA-N
XLogP4.86
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(2R)-2-[(2S)-2-methyl-1-phenylmethoxybut-3-en-2-yl]oxirane
CID 11830926
2-[2-[2-(oxiran-2-yl)-1-phenylpent-3-en-2-yl]oxy-1-phenylpent-3-en-2-yl]oxirane
CID 139677646
(2S)-2-(2-methyl-1-phenylmethoxypropan-2-yl)oxirane
CID 11020033
3-(2-methyl-4-phenylmethoxybutan-2-yl)-1,2,4-trioxolane
CID 86629068
N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine
CID 130537187
3-methyl-18-phenylmethoxyoctadec-1-en-3-ol
CID 15606204
5-(2-phenylmethoxyethyl)-1,3-dioxane-2-carbaldehyde
CID 174752217
2-ethenylsulfonylethoxymethylbenzene
CID 5141696
2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
2,2-difluorobut-3-enoxymethylbenzene
CID 170548757
oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777
ethenyl-dimethyl-(2-phenylmethoxyethoxy)silane
CID 86214718

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane?
The IUPAC name of 2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane (CID 139632113) is 2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane.
What is the SMILES notation for 2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane?
The canonical SMILES for 2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane is C=CC(CCOCc1ccccc1)(OC(C=C)(CCOCc1ccccc1)C1CO1)C1CO1.
What is the InChIKey of 2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane?
The InChIKey is FMNSLZVFEJMWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O5/c1-3-27(25-21-31-25,15-17-29-19-23-11-7-5-8-12-23)33-28(4-2,26-22-32-26)16-18-30-20-24-13-9-6-10-14-24/h3-14,25-26H,1-2,15-22H2.
What are the key properties of 2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane?
2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane has a molecular weight of 450.58 g/mol, XLogP of 4.86, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(oxiran-2-yl)-5-phenylmethoxypent-1-en-3-yl]oxy-5-phenylmethoxypent-1-en-3-yl]oxirane is sourced from PubChem (CID 139632113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).