(3R,5R)-3-ethenyl-5-phenyloxolan-2-one

C12H12O2 — CID 71408121

IUPAC(3R,5R)-3-ethenyl-5-phenyloxolan-2-one
SMILESC=C[C@H]1C[C@H](c2ccccc2)OC1=O
InChIInChI=1S/C12H12O2/c1-2-9-8-11(14-12(9)13)10-6-4-3-5-7-10/h2-7,9,11H,1,8H2/t9-,11+/m0/s1
InChIKeyFIXVOZNYPUHZAQ-GXSJLCMTSA-N
MW188.23 g/mol
LogP2.48
Rot. Bonds2

About (3R,5R)-3-ethenyl-5-phenyloxolan-2-one

(3R,5R)-3-ethenyl-5-phenyloxolan-2-one (PubChem CID 71408121) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (3R,5R)-3-ethenyl-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-3-ethenyl-5-phenyloxolan-2-one
PubChem CID71408121
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(3R,5R)-3-ethenyl-5-phenyloxolan-2-one
SMILESC=C[C@H]1C[C@H](c2ccccc2)OC1=O
InChIInChI=1S/C12H12O2/c1-2-9-8-11(14-12(9)13)10-6-4-3-5-7-10/h2-7,9,11H,1,8H2/t9-,11+/m0/s1
InChIKeyFIXVOZNYPUHZAQ-GXSJLCMTSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.48
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

(3R,5R)-3-amino-5-phenyloxolan-2-one
CID 12521195
(3S)-3-hydroxy-5-phenyloxolan-2-one
CID 46197935
3-chloro-5-phenyloxolan-2-one
CID 3018341
(3R,5R)-3-hydroxy-5-phenyloxolan-2-one
CID 11665488
(3S,5S)-3-azido-5-phenyloxolan-2-one
CID 102451787
methyl (5S)-2-oxo-5-phenyloxolane-3-carboxylate
CID 102111765
3-ethenyl-5-phenyl-1,3-oxazolidin-2-one
CID 21291189
4,6-diphenyloxan-2-one
CID 78061466
N-[(3S,5S)-2-oxo-5-phenyloxolan-3-yl]benzamide
CID 102525266
5-phenyloxolane-2,3-dione
CID 14450727
6-hydroxy-2-phenyl-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 174481286
(3S,5R)-5-phenyl-3-[(Z)-4-phenylmethoxybut-2-enyl]oxolan-2-one
CID 59568811

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-ethenyl-5-phenyloxolan-2-one?
The IUPAC name of (3R,5R)-3-ethenyl-5-phenyloxolan-2-one (CID 71408121) is (3R,5R)-3-ethenyl-5-phenyloxolan-2-one.
What is the SMILES notation for (3R,5R)-3-ethenyl-5-phenyloxolan-2-one?
The canonical SMILES for (3R,5R)-3-ethenyl-5-phenyloxolan-2-one is C=C[C@H]1C[C@H](c2ccccc2)OC1=O.
What is the InChIKey of (3R,5R)-3-ethenyl-5-phenyloxolan-2-one?
The InChIKey is FIXVOZNYPUHZAQ-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H12O2/c1-2-9-8-11(14-12(9)13)10-6-4-3-5-7-10/h2-7,9,11H,1,8H2/t9-,11+/m0/s1.
What are the key properties of (3R,5R)-3-ethenyl-5-phenyloxolan-2-one?
(3R,5R)-3-ethenyl-5-phenyloxolan-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-ethenyl-5-phenyloxolan-2-one is sourced from PubChem (CID 71408121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).