(2R)-2-naphthalen-2-yloxirane

C12H10O — CID 10877557

IUPAC(2R)-2-naphthalen-2-yloxirane
SMILESc1ccc2cc([C@@H]3CO3)ccc2c1
InChIInChI=1S/C12H10O/c1-2-4-10-7-11(12-8-13-12)6-5-9(10)3-1/h1-7,12H,8H2/t12-/m0/s1
InChIKeyLAGFFQGUWPDQNH-LBPRGKRZSA-N
MW170.21 g/mol
LogP2.91
Rot. Bonds1

About (2R)-2-naphthalen-2-yloxirane

(2R)-2-naphthalen-2-yloxirane (PubChem CID 10877557) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is (2R)-2-naphthalen-2-yloxirane.

Molecular Properties

Compound Name(2R)-2-naphthalen-2-yloxirane
PubChem CID10877557
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name(2R)-2-naphthalen-2-yloxirane
SMILESc1ccc2cc([C@@H]3CO3)ccc2c1
InChIInChI=1S/C12H10O/c1-2-4-10-7-11(12-8-13-12)6-5-9(10)3-1/h1-7,12H,8H2/t12-/m0/s1
InChIKeyLAGFFQGUWPDQNH-LBPRGKRZSA-N
XLogP2.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.91
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 (2R)-2-naphthalen-2-yloxirane?
The IUPAC name of (2R)-2-naphthalen-2-yloxirane (CID 10877557) is (2R)-2-naphthalen-2-yloxirane.
What is the SMILES notation for (2R)-2-naphthalen-2-yloxirane?
The canonical SMILES for (2R)-2-naphthalen-2-yloxirane is c1ccc2cc([C@@H]3CO3)ccc2c1.
What is the InChIKey of (2R)-2-naphthalen-2-yloxirane?
The InChIKey is LAGFFQGUWPDQNH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H10O/c1-2-4-10-7-11(12-8-13-12)6-5-9(10)3-1/h1-7,12H,8H2/t12-/m0/s1.
What are the key properties of (2R)-2-naphthalen-2-yloxirane?
(2R)-2-naphthalen-2-yloxirane has a molecular weight of 170.21 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-naphthalen-2-yloxirane is sourced from PubChem (CID 10877557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).