(2S,3S)-2-ethynyl-3-phenyloxirane

C10H8O — CID 11768694

IUPAC(2S,3S)-2-ethynyl-3-phenyloxirane
SMILESC#C[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C10H8O/c1-2-9-10(11-9)8-6-4-3-5-7-8/h1,3-7,9-10H/t9-,10-/m0/s1
InChIKeyVQMLIYNSAGLXAT-UWVGGRQHSA-N
MW144.17 g/mol
LogP1.76
Rot. Bonds1

About (2S,3S)-2-ethynyl-3-phenyloxirane

(2S,3S)-2-ethynyl-3-phenyloxirane (PubChem CID 11768694) has the molecular formula C10H8O and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S,3S)-2-ethynyl-3-phenyloxirane.

Molecular Properties

Compound Name(2S,3S)-2-ethynyl-3-phenyloxirane
PubChem CID11768694
Molecular FormulaC10H8O
Molecular Weight144.17 g/mol
Exact Mass144.06
IUPAC Name(2S,3S)-2-ethynyl-3-phenyloxirane
SMILESC#C[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C10H8O/c1-2-9-10(11-9)8-6-4-3-5-7-8/h1,3-7,9-10H/t9-,10-/m0/s1
InChIKeyVQMLIYNSAGLXAT-UWVGGRQHSA-N
XLogP1.76
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-ethynyl-3-(4-methoxyphenyl)oxirane
CID 135891777
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
trimethyl-[2-[(2S,3S)-3-phenyloxiran-2-yl]ethynyl]silane
CID 15649748
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681
2-(2-ethynylphenyl)-3-phenyloxirane
CID 72775430
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
(2R,3S,4S,5R)-2,3,4,5-tetraphenyloxolane
CID 102288914
4-ethynyl-2-phenyl-1,3-dioxolane
CID 85419917
2-(but-3-ynoxymethyl)-3-phenyloxirane
CID 139260226
2-(4-methylphenyl)-3-phenyloxirane
CID 602487

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethynyl-3-phenyloxirane?
The IUPAC name of (2S,3S)-2-ethynyl-3-phenyloxirane (CID 11768694) is (2S,3S)-2-ethynyl-3-phenyloxirane.
What is the SMILES notation for (2S,3S)-2-ethynyl-3-phenyloxirane?
The canonical SMILES for (2S,3S)-2-ethynyl-3-phenyloxirane is C#C[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-2-ethynyl-3-phenyloxirane?
The InChIKey is VQMLIYNSAGLXAT-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H8O/c1-2-9-10(11-9)8-6-4-3-5-7-8/h1,3-7,9-10H/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-ethynyl-3-phenyloxirane?
(2S,3S)-2-ethynyl-3-phenyloxirane has a molecular weight of 144.17 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethynyl-3-phenyloxirane is sourced from PubChem (CID 11768694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).