2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane

C26H34O3 — CID 139943026

IUPAC2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane
SMILESC1=C(C(OC(C2=CCCC2)(C2=CCCC2)C2CO2)(C2=CCCC2)C2CO2)CCC1
InChIInChI=1S/C26H34O3/c1-2-10-19(9-1)25(23-17-27-23,20-11-3-4-12-20)29-26(24-18-28-24,21-13-5-6-14-21)22-15-7-8-16-22/h9,11,13,15,23-24H,1-8,10,12,14,16-18H2
InChIKeyCJRWQZQUJXPERR-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.72
Rot. Bonds8

About 2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane

2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane (PubChem CID 139943026) has the molecular formula C26H34O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane
PubChem CID139943026
Molecular FormulaC26H34O3
Molecular Weight394.56 g/mol
Exact Mass394.25
IUPAC Name2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane
SMILESC1=C(C(OC(C2=CCCC2)(C2=CCCC2)C2CO2)(C2=CCCC2)C2CO2)CCC1
InChIInChI=1S/C26H34O3/c1-2-10-19(9-1)25(23-17-27-23,20-11-3-4-12-20)29-26(24-18-28-24,21-13-5-6-14-21)22-15-7-8-16-22/h9,11,13,15,23-24H,1-8,10,12,14,16-18H2
InChIKeyCJRWQZQUJXPERR-UHFFFAOYSA-N
XLogP5.72
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.72
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The IUPAC name of 2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane (CID 139943026) is 2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane.
What is the SMILES notation for 2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The canonical SMILES for 2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane is C1=C(C(OC(C2=CCCC2)(C2=CCCC2)C2CO2)(C2=CCCC2)C2CO2)CCC1.
What is the InChIKey of 2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane?
The InChIKey is CJRWQZQUJXPERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O3/c1-2-10-19(9-1)25(23-17-27-23,20-11-3-4-12-20)29-26(24-18-28-24,21-13-5-6-14-21)22-15-7-8-16-22/h9,11,13,15,23-24H,1-8,10,12,14,16-18H2.
What are the key properties of 2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane?
2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane has a molecular weight of 394.56 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(cyclopenten-1-yl)-[di(cyclopenten-1-yl)-(oxiran-2-yl)methoxy]methyl]oxirane is sourced from PubChem (CID 139943026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).