(2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane

C11H14O — CID 3082853

IUPAC(2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane
SMILESC=C[C@@H]1CC=C[C@H]1[C@H]1O[C@@H]1C=C
InChIInChI=1S/C11H14O/c1-3-8-6-5-7-9(8)11-10(4-2)12-11/h3-5,7-11H,1-2,6H2/t8-,9-,10-,11-/m1/s1
InChIKeyUXWZDKBRXXYPDJ-GWOFURMSSA-N
MW162.23 g/mol
LogP2.32
Rot. Bonds3

About (2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane

(2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane (PubChem CID 3082853) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane.

Molecular Properties

Compound Name(2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane
PubChem CID3082853
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane
SMILESC=C[C@@H]1CC=C[C@H]1[C@H]1O[C@@H]1C=C
InChIInChI=1S/C11H14O/c1-3-8-6-5-7-9(8)11-10(4-2)12-11/h3-5,7-11H,1-2,6H2/t8-,9-,10-,11-/m1/s1
InChIKeyUXWZDKBRXXYPDJ-GWOFURMSSA-N
XLogP2.32
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane?
The IUPAC name of (2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane (CID 3082853) is (2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane.
What is the SMILES notation for (2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane?
The canonical SMILES for (2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane is C=C[C@@H]1CC=C[C@H]1[C@H]1O[C@@H]1C=C.
What is the InChIKey of (2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane?
The InChIKey is UXWZDKBRXXYPDJ-GWOFURMSSA-N. The full InChI is InChI=1S/C11H14O/c1-3-8-6-5-7-9(8)11-10(4-2)12-11/h3-5,7-11H,1-2,6H2/t8-,9-,10-,11-/m1/s1.
What are the key properties of (2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane?
(2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane has a molecular weight of 162.23 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethenyl-3-[(1R,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane is sourced from PubChem (CID 3082853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).