2-[[di(cyclopenten-1-yl)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane

C22H34O3 — CID 141319820

IUPAC2-[[di(cyclopenten-1-yl)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane
SMILESCCC1(COC(C2=CCCC2)(C2=CCCC2)C2(CC)OC2C)OC1C
InChIInChI=1S/C22H34O3/c1-5-20(16(3)24-20)15-23-22(18-11-7-8-12-18,19-13-9-10-14-19)21(6-2)17(4)25-21/h11,13,16-17H,5-10,12,14-15H2,1-4H3
InChIKeyJNVNWZLFABADGY-UHFFFAOYSA-N
MW346.51 g/mol
LogP5.10
Rot. Bonds8

About 2-[[di(cyclopenten-1-yl)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane

2-[[di(cyclopenten-1-yl)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane (PubChem CID 141319820) has the molecular formula C22H34O3 and a molecular weight of 346.51 g/mol. Its IUPAC name is 2-[[di(cyclopenten-1-yl)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane.

Molecular Properties

Compound Name2-[[di(cyclopenten-1-yl)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane
PubChem CID141319820
Molecular FormulaC22H34O3
Molecular Weight346.51 g/mol
Exact Mass346.25
IUPAC Name2-[[di(cyclopenten-1-yl)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane
SMILESCCC1(COC(C2=CCCC2)(C2=CCCC2)C2(CC)OC2C)OC1C
InChIInChI=1S/C22H34O3/c1-5-20(16(3)24-20)15-23-22(18-11-7-8-12-18,19-13-9-10-14-19)21(6-2)17(4)25-21/h11,13,16-17H,5-10,12,14-15H2,1-4H3
InChIKeyJNVNWZLFABADGY-UHFFFAOYSA-N
XLogP5.10
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 55.10
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)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane?
The IUPAC name of 2-[[di(cyclopenten-1-yl)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane (CID 141319820) is 2-[[di(cyclopenten-1-yl)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane.
What is the SMILES notation for 2-[[di(cyclopenten-1-yl)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane?
The canonical SMILES for 2-[[di(cyclopenten-1-yl)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane is CCC1(COC(C2=CCCC2)(C2=CCCC2)C2(CC)OC2C)OC1C.
What is the InChIKey of 2-[[di(cyclopenten-1-yl)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane?
The InChIKey is JNVNWZLFABADGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O3/c1-5-20(16(3)24-20)15-23-22(18-11-7-8-12-18,19-13-9-10-14-19)21(6-2)17(4)25-21/h11,13,16-17H,5-10,12,14-15H2,1-4H3.
What are the key properties of 2-[[di(cyclopenten-1-yl)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane?
2-[[di(cyclopenten-1-yl)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane has a molecular weight of 346.51 g/mol, XLogP of 5.10, 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)-(2-ethyl-3-methyloxiran-2-yl)methoxy]methyl]-2-ethyl-3-methyloxirane is sourced from PubChem (CID 141319820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).