2-pent-2-ynylnaphthalene

C15H14 — CID 91285250

IUPAC2-pent-2-ynylnaphthalene
SMILESCCC#CCc1ccc2ccccc2c1
InChIInChI=1S/C15H14/c1-2-3-4-7-13-10-11-14-8-5-6-9-15(14)12-13/h5-6,8-12H,2,7H2,1H3
InChIKeyZNIVHVIFGKAFEP-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.80
Rot. Bonds1

About 2-pent-2-ynylnaphthalene

2-pent-2-ynylnaphthalene (PubChem CID 91285250) has the molecular formula C15H14 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-pent-2-ynylnaphthalene.

Molecular Properties

Compound Name2-pent-2-ynylnaphthalene
PubChem CID91285250
Molecular FormulaC15H14
Molecular Weight194.28 g/mol
Exact Mass194.11
IUPAC Name2-pent-2-ynylnaphthalene
SMILESCCC#CCc1ccc2ccccc2c1
InChIInChI=1S/C15H14/c1-2-3-4-7-13-10-11-14-8-5-6-9-15(14)12-13/h5-6,8-12H,2,7H2,1H3
InChIKeyZNIVHVIFGKAFEP-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pent-2-ynylnaphthalene?
The IUPAC name of 2-pent-2-ynylnaphthalene (CID 91285250) is 2-pent-2-ynylnaphthalene.
What is the SMILES notation for 2-pent-2-ynylnaphthalene?
The canonical SMILES for 2-pent-2-ynylnaphthalene is CCC#CCc1ccc2ccccc2c1.
What is the InChIKey of 2-pent-2-ynylnaphthalene?
The InChIKey is ZNIVHVIFGKAFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14/c1-2-3-4-7-13-10-11-14-8-5-6-9-15(14)12-13/h5-6,8-12H,2,7H2,1H3.
What are the key properties of 2-pent-2-ynylnaphthalene?
2-pent-2-ynylnaphthalene has a molecular weight of 194.28 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-2-ynylnaphthalene is sourced from PubChem (CID 91285250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).