lithium (2S,3S)-3-phenyl-2-phenyloxirane

C14H11LiO — CID 177463264

IUPAClithium (2S,3S)-3-phenyl-2-phenyloxirane
SMILES[Li+].[c-]1ccccc1[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C14H11O.Li/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12;/h1-9,13-14H;/q-1;+1/t13-,14-;/m0./s1
InChIKeyCIANSFBBBJDXOG-IODNYQNNSA-N
MW202.18 g/mol
LogP0.30
Rot. Bonds2

About lithium (2S,3S)-3-phenyl-2-phenyloxirane

lithium (2S,3S)-3-phenyl-2-phenyloxirane (PubChem CID 177463264) has the molecular formula C14H11LiO and a molecular weight of 202.18 g/mol. Its IUPAC name is lithium (2S,3S)-3-phenyl-2-phenyloxirane.

Molecular Properties

Compound Namelithium (2S,3S)-3-phenyl-2-phenyloxirane
PubChem CID177463264
Molecular FormulaC14H11LiO
Molecular Weight202.18 g/mol
Exact Mass202.10
IUPAC Namelithium (2S,3S)-3-phenyl-2-phenyloxirane
SMILES[Li+].[c-]1ccccc1[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C14H11O.Li/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12;/h1-9,13-14H;/q-1;+1/t13-,14-;/m0./s1
InChIKeyCIANSFBBBJDXOG-IODNYQNNSA-N
XLogP0.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium (2S,3S)-3-phenyl-2-phenyloxirane?
The IUPAC name of lithium (2S,3S)-3-phenyl-2-phenyloxirane (CID 177463264) is lithium (2S,3S)-3-phenyl-2-phenyloxirane.
What is the SMILES notation for lithium (2S,3S)-3-phenyl-2-phenyloxirane?
The canonical SMILES for lithium (2S,3S)-3-phenyl-2-phenyloxirane is [Li+].[c-]1ccccc1[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of lithium (2S,3S)-3-phenyl-2-phenyloxirane?
The InChIKey is CIANSFBBBJDXOG-IODNYQNNSA-N. The full InChI is InChI=1S/C14H11O.Li/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12;/h1-9,13-14H;/q-1;+1/t13-,14-;/m0./s1.
What are the key properties of lithium (2S,3S)-3-phenyl-2-phenyloxirane?
lithium (2S,3S)-3-phenyl-2-phenyloxirane has a molecular weight of 202.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2S,3S)-3-phenyl-2-phenyloxirane is sourced from PubChem (CID 177463264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).