[(1R)-1-naphthalen-1-ylprop-2-enyl] acetate

C15H14O2 — CID 101384633

IUPAC[(1R)-1-naphthalen-1-ylprop-2-enyl] acetate
SMILESC=C[C@@H](OC(C)=O)c1cccc2ccccc12
InChIInChI=1S/C15H14O2/c1-3-15(17-11(2)16)14-10-6-8-12-7-4-5-9-13(12)14/h3-10,15H,1H2,2H3/t15-/m1/s1
InChIKeyXGXITAXGUXREJJ-OAHLLOKOSA-N
MW226.27 g/mol
LogP3.63
Rot. Bonds3

About [(1R)-1-naphthalen-1-ylprop-2-enyl] acetate

[(1R)-1-naphthalen-1-ylprop-2-enyl] acetate (PubChem CID 101384633) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is [(1R)-1-naphthalen-1-ylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(1R)-1-naphthalen-1-ylprop-2-enyl] acetate
PubChem CID101384633
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name[(1R)-1-naphthalen-1-ylprop-2-enyl] acetate
SMILESC=C[C@@H](OC(C)=O)c1cccc2ccccc12
InChIInChI=1S/C15H14O2/c1-3-15(17-11(2)16)14-10-6-8-12-7-4-5-9-13(12)14/h3-10,15H,1H2,2H3/t15-/m1/s1
InChIKeyXGXITAXGUXREJJ-OAHLLOKOSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-naphthalen-1-ylprop-2-enyl] acetate?
The IUPAC name of [(1R)-1-naphthalen-1-ylprop-2-enyl] acetate (CID 101384633) is [(1R)-1-naphthalen-1-ylprop-2-enyl] acetate.
What is the SMILES notation for [(1R)-1-naphthalen-1-ylprop-2-enyl] acetate?
The canonical SMILES for [(1R)-1-naphthalen-1-ylprop-2-enyl] acetate is C=C[C@@H](OC(C)=O)c1cccc2ccccc12.
What is the InChIKey of [(1R)-1-naphthalen-1-ylprop-2-enyl] acetate?
The InChIKey is XGXITAXGUXREJJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14O2/c1-3-15(17-11(2)16)14-10-6-8-12-7-4-5-9-13(12)14/h3-10,15H,1H2,2H3/t15-/m1/s1.
What are the key properties of [(1R)-1-naphthalen-1-ylprop-2-enyl] acetate?
[(1R)-1-naphthalen-1-ylprop-2-enyl] acetate has a molecular weight of 226.27 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-naphthalen-1-ylprop-2-enyl] acetate is sourced from PubChem (CID 101384633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).