(2S,3R)-2-methyl-3-naphthalen-2-yloxirane

C13H12O — CID 11321352

IUPAC(2S,3R)-2-methyl-3-naphthalen-2-yloxirane
SMILESC[C@@H]1O[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C13H12O/c1-9-13(14-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13H,1H3/t9-,13-/m0/s1
InChIKeyUXWQZSBIDCNBBF-ZANVPECISA-N
MW184.24 g/mol
LogP3.30
Rot. Bonds1

About (2S,3R)-2-methyl-3-naphthalen-2-yloxirane

(2S,3R)-2-methyl-3-naphthalen-2-yloxirane (PubChem CID 11321352) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is (2S,3R)-2-methyl-3-naphthalen-2-yloxirane.

Molecular Properties

Compound Name(2S,3R)-2-methyl-3-naphthalen-2-yloxirane
PubChem CID11321352
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name(2S,3R)-2-methyl-3-naphthalen-2-yloxirane
SMILESC[C@@H]1O[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C13H12O/c1-9-13(14-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13H,1H3/t9-,13-/m0/s1
InChIKeyUXWQZSBIDCNBBF-ZANVPECISA-N
XLogP3.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.30
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,3R)-2-methyl-3-naphthalen-2-yloxirane?
The IUPAC name of (2S,3R)-2-methyl-3-naphthalen-2-yloxirane (CID 11321352) is (2S,3R)-2-methyl-3-naphthalen-2-yloxirane.
What is the SMILES notation for (2S,3R)-2-methyl-3-naphthalen-2-yloxirane?
The canonical SMILES for (2S,3R)-2-methyl-3-naphthalen-2-yloxirane is C[C@@H]1O[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of (2S,3R)-2-methyl-3-naphthalen-2-yloxirane?
The InChIKey is UXWQZSBIDCNBBF-ZANVPECISA-N. The full InChI is InChI=1S/C13H12O/c1-9-13(14-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13H,1H3/t9-,13-/m0/s1.
What are the key properties of (2S,3R)-2-methyl-3-naphthalen-2-yloxirane?
(2S,3R)-2-methyl-3-naphthalen-2-yloxirane has a molecular weight of 184.24 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-3-naphthalen-2-yloxirane is sourced from PubChem (CID 11321352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).