2-naphthalen-2-yl-2-prop-2-ynyloxirane

C15H12O — CID 56954046

IUPAC2-naphthalen-2-yl-2-prop-2-ynyloxirane
SMILESC#CCC1(c2ccc3ccccc3c2)CO1
InChIInChI=1S/C15H12O/c1-2-9-15(11-16-15)14-8-7-12-5-3-4-6-13(12)10-14/h1,3-8,10H,9,11H2
InChIKeyGLQDWQWGBKOPOU-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.09
Rot. Bonds2

About 2-naphthalen-2-yl-2-prop-2-ynyloxirane

2-naphthalen-2-yl-2-prop-2-ynyloxirane (PubChem CID 56954046) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-prop-2-ynyloxirane.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-prop-2-ynyloxirane
PubChem CID56954046
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name2-naphthalen-2-yl-2-prop-2-ynyloxirane
SMILESC#CCC1(c2ccc3ccccc3c2)CO1
InChIInChI=1S/C15H12O/c1-2-9-15(11-16-15)14-8-7-12-5-3-4-6-13(12)10-14/h1,3-8,10H,9,11H2
InChIKeyGLQDWQWGBKOPOU-UHFFFAOYSA-N
XLogP3.09
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-prop-2-ynyloxirane?
The IUPAC name of 2-naphthalen-2-yl-2-prop-2-ynyloxirane (CID 56954046) is 2-naphthalen-2-yl-2-prop-2-ynyloxirane.
What is the SMILES notation for 2-naphthalen-2-yl-2-prop-2-ynyloxirane?
The canonical SMILES for 2-naphthalen-2-yl-2-prop-2-ynyloxirane is C#CCC1(c2ccc3ccccc3c2)CO1.
What is the InChIKey of 2-naphthalen-2-yl-2-prop-2-ynyloxirane?
The InChIKey is GLQDWQWGBKOPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-2-9-15(11-16-15)14-8-7-12-5-3-4-6-13(12)10-14/h1,3-8,10H,9,11H2.
What are the key properties of 2-naphthalen-2-yl-2-prop-2-ynyloxirane?
2-naphthalen-2-yl-2-prop-2-ynyloxirane has a molecular weight of 208.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2-prop-2-ynyloxirane is sourced from PubChem (CID 56954046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).