(1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one

C15H14O2 — CID 10513426

IUPAC(1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one
SMILESC=C[C@@H]1[C@H]2COC(=O)[C@@]12/C=C/c1ccccc1
InChIInChI=1S/C15H14O2/c1-2-12-13-10-17-14(16)15(12,13)9-8-11-6-4-3-5-7-11/h2-9,12-13H,1,10H2/b9-8+/t12-,13-,15+/m1/s1
InChIKeyFKSYLSZMSCJBMT-SYFVHKBXSA-N
MW226.28 g/mol
LogP2.67
Rot. Bonds3

About (1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one

(1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 10513426) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is (1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID10513426
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name(1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one
SMILESC=C[C@@H]1[C@H]2COC(=O)[C@@]12/C=C/c1ccccc1
InChIInChI=1S/C15H14O2/c1-2-12-13-10-17-14(16)15(12,13)9-8-11-6-4-3-5-7-11/h2-9,12-13H,1,10H2/b9-8+/t12-,13-,15+/m1/s1
InChIKeyFKSYLSZMSCJBMT-SYFVHKBXSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one with MolForge

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Related Compounds

(1R,5R,6R)-1-[(E)-2-phenylethenyl]-6-[(E)-prop-1-enyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 101007824
1-amino-6-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 15687539
(2S,5S)-2-tert-butyl-5-phenyl-5-[(E)-2-phenylethenyl]-1,3-dioxolan-4-one
CID 101465854
pyrrolidine-2,5-dione;stilbene
CID 70488570
(5S,9R)-9-ethenyl-2-phenyl-7-oxa-1-azaspiro[4.4]non-1-en-6-one
CID 162413449
[(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol
CID 102179390
(2R,3R)-2-[(E)-2-phenylethenyl]-5-oxaspiro[2.5]oct-7-en-4-one
CID 102423593
(4R)-4-(2-phenylethenyl)-1,3-oxazolidin-2-one
CID 69253686
cesium (1R,2R,6R)-2-methyl-5-oxo-6-[(E)-2-phenylethenyl]-7-oxabicyclo[4.1.0]hept-3-en-2-olate
CID 154711262
benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129
(4R)-3-[(1R)-1-phenylbut-3-enyl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 11461333

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one (CID 10513426) is (1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one is C=C[C@@H]1[C@H]2COC(=O)[C@@]12/C=C/c1ccccc1.
What is the InChIKey of (1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is FKSYLSZMSCJBMT-SYFVHKBXSA-N. The full InChI is InChI=1S/C15H14O2/c1-2-12-13-10-17-14(16)15(12,13)9-8-11-6-4-3-5-7-11/h2-9,12-13H,1,10H2/b9-8+/t12-,13-,15+/m1/s1.
What are the key properties of (1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one?
(1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 226.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 10513426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).