(2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one

C15H14O2 — CID 102423593

IUPAC(2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one
SMILESO=C1OCC=C[C@@]12C[C@@H]2/C=C/c1ccccc1
InChIInChI=1S/C15H14O2/c16-14-15(9-4-10-17-14)11-13(15)8-7-12-5-2-1-3-6-12/h1-9,13H,10-11H2/b8-7+/t13-,15-/m0/s1
InChIKeyVOSOYSQEZUYZHL-IZYAJXRASA-N
MW226.28 g/mol
LogP2.82
Rot. Bonds2

About (2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one

(2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one (PubChem CID 102423593) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one.

Molecular Properties

Compound Name(2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one
PubChem CID102423593
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name(2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one
SMILESO=C1OCC=C[C@@]12C[C@@H]2/C=C/c1ccccc1
InChIInChI=1S/C15H14O2/c16-14-15(9-4-10-17-14)11-13(15)8-7-12-5-2-1-3-6-12/h1-9,13H,10-11H2/b8-7+/t13-,15-/m0/s1
InChIKeyVOSOYSQEZUYZHL-IZYAJXRASA-N
XLogP2.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-phenyl-5-oxaspiro[2.5]oct-7-en-4-one
CID 102153001
(2S,3S)-2-[(E)-1-phenylprop-1-en-2-yl]-5-oxaspiro[2.5]oct-7-en-4-one
CID 102153003
[(E)-2-[(1R,2R)-2-methyl-2-propylcyclopropyl]ethenyl]benzene
CID 10821924
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
(4R)-4-(2-phenylethenyl)-1,3-oxazolidin-2-one
CID 69253686
(2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 6440856
(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 11229405
4-(2-phenylethenyl)pyrrolidin-2-one
CID 154016573
(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 10465961
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
2-[(E)-2-phenylethenyl]cyclobutan-1-one
CID 131241395

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one?
The IUPAC name of (2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one (CID 102423593) is (2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one.
What is the SMILES notation for (2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one?
The canonical SMILES for (2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one is O=C1OCC=C[C@@]12C[C@@H]2/C=C/c1ccccc1.
What is the InChIKey of (2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one?
The InChIKey is VOSOYSQEZUYZHL-IZYAJXRASA-N. The full InChI is InChI=1S/C15H14O2/c16-14-15(9-4-10-17-14)11-13(15)8-7-12-5-2-1-3-6-12/h1-9,13H,10-11H2/b8-7+/t13-,15-/m0/s1.
What are the key properties of (2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one?
(2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one has a molecular weight of 226.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one is sourced from PubChem (CID 102423593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).