(2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane

C11H16O — CID 163114494

IUPAC(2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane
SMILESC=C[C@@H]1CCC[C@@H]1[C@@H]1O[C@H]1C=C
InChIInChI=1S/C11H16O/c1-3-8-6-5-7-9(8)11-10(4-2)12-11/h3-4,8-11H,1-2,5-7H2/t8-,9+,10+,11+/m1/s1
InChIKeyVMVNIIHXLAFGJO-RCWTZXSCSA-N
MW164.25 g/mol
LogP2.54
Rot. Bonds3

About (2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane

(2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane (PubChem CID 163114494) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane.

Molecular Properties

Compound Name(2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane
PubChem CID163114494
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane
SMILESC=C[C@@H]1CCC[C@@H]1[C@@H]1O[C@H]1C=C
InChIInChI=1S/C11H16O/c1-3-8-6-5-7-9(8)11-10(4-2)12-11/h3-4,8-11H,1-2,5-7H2/t8-,9+,10+,11+/m1/s1
InChIKeyVMVNIIHXLAFGJO-RCWTZXSCSA-N
XLogP2.54
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.54
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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Related Compounds

Caudoxirene
CID 3082853
(2R,3R)-2-ethenyl-3-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane
CID 11008240
2-ethenyl-3-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]oxirane
CID 22298397
2-ethenyl-3-[(1R,5R)-5-ethenylcyclopent-2-en-1-yl]oxirane
CID 23426609
(2R,3S)-2-cyclohexyl-3-ethenyloxirane
CID 11062567
2-Cyclohexyl-3-ethenyloxirane
CID 12669133
(2R,3R)-2-cyclohexyl-3-ethenyloxirane
CID 12669134
2-Ethenyl-1-oxaspiro[2.4]heptane
CID 13010050
(2R,3S)-2-ethenyl-3-[(1S,5R)-5-ethenylcyclopent-2-en-1-yl]oxirane
CID 641691
2-Ethenyl-3-(5-ethenylcyclopent-2-en-1-yl)oxirane
CID 14580560
(2R,3R)-2-ethenyl-3-[(1R,5R)-5-ethenylcyclopent-2-en-1-yl]oxirane
CID 14580561
(2S,3R)-2-cyclohexyl-3-ethenyloxirane
CID 12669132

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane?
The IUPAC name of (2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane (CID 163114494) is (2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane.
What is the SMILES notation for (2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane?
The canonical SMILES for (2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane is C=C[C@@H]1CCC[C@@H]1[C@@H]1O[C@H]1C=C.
What is the InChIKey of (2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane?
The InChIKey is VMVNIIHXLAFGJO-RCWTZXSCSA-N. The full InChI is InChI=1S/C11H16O/c1-3-8-6-5-7-9(8)11-10(4-2)12-11/h3-4,8-11H,1-2,5-7H2/t8-,9+,10+,11+/m1/s1.
What are the key properties of (2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane?
(2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane has a molecular weight of 164.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethenyl-3-[(1S,2S)-2-ethenylcyclopentyl]oxirane is sourced from PubChem (CID 163114494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).