2-(2-naphthalen-1-ylethynyl)oxolane

C16H14O — CID 102141439

IUPAC2-(2-naphthalen-1-ylethynyl)oxolane
SMILESC(#CC1CCCO1)c1cccc2ccccc12
InChIInChI=1S/C16H14O/c1-2-9-16-13(5-1)6-3-7-14(16)10-11-15-8-4-12-17-15/h1-3,5-7,9,15H,4,8,12H2
InChIKeyFZZRLAMINWRBTI-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.37
Rot. Bonds

About 2-(2-naphthalen-1-ylethynyl)oxolane

2-(2-naphthalen-1-ylethynyl)oxolane (PubChem CID 102141439) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-naphthalen-1-ylethynyl)oxolane.

Molecular Properties

Compound Name2-(2-naphthalen-1-ylethynyl)oxolane
PubChem CID102141439
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name2-(2-naphthalen-1-ylethynyl)oxolane
SMILESC(#CC1CCCO1)c1cccc2ccccc12
InChIInChI=1S/C16H14O/c1-2-9-16-13(5-1)6-3-7-14(16)10-11-15-8-4-12-17-15/h1-3,5-7,9,15H,4,8,12H2
InChIKeyFZZRLAMINWRBTI-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-ethylphenyl)ethynyl]oxolane
CID 102141444
2-(3-naphthalen-1-ylprop-2-ynoxy)oxane
CID 146003722
(2S)-2-[2-(4-chlorophenyl)ethynyl]oxolane
CID 125483807
1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene
CID 15498615
1-[2-[(1R)-2-nitrocyclohexyl]ethynyl]naphthalene
CID 102350964
2-(2-thiophen-2-ylethynyl)oxolane
CID 134859564
2,3,6,7-tetrakis(2-naphthalen-1-ylethynyl)naphthalene
CID 177465758
1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene
CID 138857608
1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone
CID 102141437
5,11,13,15-tetrakis(2-naphthalen-1-ylethynyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
CID 122373167
naphthalene-1-carbonitrile;sulfane
CID 175607355
3-naphthalen-1-ylprop-2-ynenitrile
CID 116791050

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-1-ylethynyl)oxolane?
The IUPAC name of 2-(2-naphthalen-1-ylethynyl)oxolane (CID 102141439) is 2-(2-naphthalen-1-ylethynyl)oxolane.
What is the SMILES notation for 2-(2-naphthalen-1-ylethynyl)oxolane?
The canonical SMILES for 2-(2-naphthalen-1-ylethynyl)oxolane is C(#CC1CCCO1)c1cccc2ccccc12.
What is the InChIKey of 2-(2-naphthalen-1-ylethynyl)oxolane?
The InChIKey is FZZRLAMINWRBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-2-9-16-13(5-1)6-3-7-14(16)10-11-15-8-4-12-17-15/h1-3,5-7,9,15H,4,8,12H2.
What are the key properties of 2-(2-naphthalen-1-ylethynyl)oxolane?
2-(2-naphthalen-1-ylethynyl)oxolane has a molecular weight of 222.29 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-ylethynyl)oxolane is sourced from PubChem (CID 102141439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).