(2S)-2-benzyloxirane

C9H10O — CID 11018915

IUPAC(2S)-2-benzyloxirane
SMILESc1ccc(C[C@H]2CO2)cc1
InChIInChI=1S/C9H10O/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9H,6-7H2/t9-/m0/s1
InChIKeyJFDMLXYWGLECEY-VIFPVBQESA-N
MW134.18 g/mol
LogP1.63
Rot. Bonds2

About (2S)-2-benzyloxirane

(2S)-2-benzyloxirane (PubChem CID 11018915) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is (2S)-2-benzyloxirane.

Molecular Properties

Compound Name(2S)-2-benzyloxirane
PubChem CID11018915
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name(2S)-2-benzyloxirane
SMILESc1ccc(C[C@H]2CO2)cc1
InChIInChI=1S/C9H10O/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9H,6-7H2/t9-/m0/s1
InChIKeyJFDMLXYWGLECEY-VIFPVBQESA-N
XLogP1.63
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyloxirane?
The IUPAC name of (2S)-2-benzyloxirane (CID 11018915) is (2S)-2-benzyloxirane.
What is the SMILES notation for (2S)-2-benzyloxirane?
The canonical SMILES for (2S)-2-benzyloxirane is c1ccc(C[C@H]2CO2)cc1.
What is the InChIKey of (2S)-2-benzyloxirane?
The InChIKey is JFDMLXYWGLECEY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H10O/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9H,6-7H2/t9-/m0/s1.
What are the key properties of (2S)-2-benzyloxirane?
(2S)-2-benzyloxirane has a molecular weight of 134.18 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyloxirane is sourced from PubChem (CID 11018915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).