2-(2-ethylhexoxy)-6-ethynylnaphthalene

C20H24O — CID 102147077

IUPAC2-(2-ethylhexoxy)-6-ethynylnaphthalene
SMILESC#Cc1ccc2cc(OCC(CC)CCCC)ccc2c1
InChIInChI=1S/C20H24O/c1-4-7-8-17(6-3)15-21-20-12-11-18-13-16(5-2)9-10-19(18)14-20/h2,9-14,17H,4,6-8,15H2,1,3H3
InChIKeyOWNYHHAUCJXPPL-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.42
Rot. Bonds7

About 2-(2-ethylhexoxy)-6-ethynylnaphthalene

2-(2-ethylhexoxy)-6-ethynylnaphthalene (PubChem CID 102147077) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-6-ethynylnaphthalene.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-6-ethynylnaphthalene
PubChem CID102147077
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name2-(2-ethylhexoxy)-6-ethynylnaphthalene
SMILESC#Cc1ccc2cc(OCC(CC)CCCC)ccc2c1
InChIInChI=1S/C20H24O/c1-4-7-8-17(6-3)15-21-20-12-11-18-13-16(5-2)9-10-19(18)14-20/h2,9-14,17H,4,6-8,15H2,1,3H3
InChIKeyOWNYHHAUCJXPPL-UHFFFAOYSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-ethylhexoxy)-6-ethynylnaphthalene?
The IUPAC name of 2-(2-ethylhexoxy)-6-ethynylnaphthalene (CID 102147077) is 2-(2-ethylhexoxy)-6-ethynylnaphthalene.
What is the SMILES notation for 2-(2-ethylhexoxy)-6-ethynylnaphthalene?
The canonical SMILES for 2-(2-ethylhexoxy)-6-ethynylnaphthalene is C#Cc1ccc2cc(OCC(CC)CCCC)ccc2c1.
What is the InChIKey of 2-(2-ethylhexoxy)-6-ethynylnaphthalene?
The InChIKey is OWNYHHAUCJXPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-4-7-8-17(6-3)15-21-20-12-11-18-13-16(5-2)9-10-19(18)14-20/h2,9-14,17H,4,6-8,15H2,1,3H3.
What are the key properties of 2-(2-ethylhexoxy)-6-ethynylnaphthalene?
2-(2-ethylhexoxy)-6-ethynylnaphthalene has a molecular weight of 280.41 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-6-ethynylnaphthalene is sourced from PubChem (CID 102147077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).