cyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane

C11H16O3 — CID 87410987

IUPACcyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C1=CCC=C1
InChIInChI=1S/C6H10O3.C5H6/c1(5-3-8-5)7-2-6-4-9-6;1-2-4-5-3-1/h5-6H,1-4H2;1-4H,5H2
InChIKeyKATCEUDQOMBQKD-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.30
Rot. Bonds4

About cyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane

cyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 87410987) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID87410987
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namecyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C1=CCC=C1
InChIInChI=1S/C6H10O3.C5H6/c1(5-3-8-5)7-2-6-4-9-6;1-2-4-5-3-1/h5-6H,1-4H2;1-4H,5H2
InChIKeyKATCEUDQOMBQKD-UHFFFAOYSA-N
XLogP1.30
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of cyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 87410987) is cyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for cyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for cyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.C1=CCC=C1.
What is the InChIKey of cyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is KATCEUDQOMBQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C5H6/c1(5-3-8-5)7-2-6-4-9-6;1-2-4-5-3-1/h5-6H,1-4H2;1-4H,5H2.
What are the key properties of cyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane?
cyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 196.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 87410987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).