2-ethenyl-6-(2-ethoxyethoxy)naphthalene

C16H18O2 — CID 68832000

IUPAC2-ethenyl-6-(2-ethoxyethoxy)naphthalene
SMILESC=Cc1ccc2cc(OCCOCC)ccc2c1
InChIInChI=1S/C16H18O2/c1-3-13-5-6-15-12-16(8-7-14(15)11-13)18-10-9-17-4-2/h3,5-8,11-12H,1,4,9-10H2,2H3
InChIKeyOKMMEEHYPUWDKW-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.90
Rot. Bonds6

About 2-ethenyl-6-(2-ethoxyethoxy)naphthalene

2-ethenyl-6-(2-ethoxyethoxy)naphthalene (PubChem CID 68832000) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-ethenyl-6-(2-ethoxyethoxy)naphthalene.

Molecular Properties

Compound Name2-ethenyl-6-(2-ethoxyethoxy)naphthalene
PubChem CID68832000
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-ethenyl-6-(2-ethoxyethoxy)naphthalene
SMILESC=Cc1ccc2cc(OCCOCC)ccc2c1
InChIInChI=1S/C16H18O2/c1-3-13-5-6-15-12-16(8-7-14(15)11-13)18-10-9-17-4-2/h3,5-8,11-12H,1,4,9-10H2,2H3
InChIKeyOKMMEEHYPUWDKW-UHFFFAOYSA-N
XLogP3.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-(2-ethoxyethoxy)naphthalene?
The IUPAC name of 2-ethenyl-6-(2-ethoxyethoxy)naphthalene (CID 68832000) is 2-ethenyl-6-(2-ethoxyethoxy)naphthalene.
What is the SMILES notation for 2-ethenyl-6-(2-ethoxyethoxy)naphthalene?
The canonical SMILES for 2-ethenyl-6-(2-ethoxyethoxy)naphthalene is C=Cc1ccc2cc(OCCOCC)ccc2c1.
What is the InChIKey of 2-ethenyl-6-(2-ethoxyethoxy)naphthalene?
The InChIKey is OKMMEEHYPUWDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-3-13-5-6-15-12-16(8-7-14(15)11-13)18-10-9-17-4-2/h3,5-8,11-12H,1,4,9-10H2,2H3.
What are the key properties of 2-ethenyl-6-(2-ethoxyethoxy)naphthalene?
2-ethenyl-6-(2-ethoxyethoxy)naphthalene has a molecular weight of 242.32 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-(2-ethoxyethoxy)naphthalene is sourced from PubChem (CID 68832000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).