1-(1-butoxyethoxy)-4-ethenylnaphthalene

C18H22O2 — CID 18350138

IUPAC1-(1-butoxyethoxy)-4-ethenylnaphthalene
SMILESC=Cc1ccc(OC(C)OCCCC)c2ccccc12
InChIInChI=1S/C18H22O2/c1-4-6-13-19-14(3)20-18-12-11-15(5-2)16-9-7-8-10-17(16)18/h5,7-12,14H,2,4,6,13H2,1,3H3
InChIKeyVEEDRVUPGRWCLC-UHFFFAOYSA-N
MW270.37 g/mol
LogP5.02
Rot. Bonds7

About 1-(1-butoxyethoxy)-4-ethenylnaphthalene

1-(1-butoxyethoxy)-4-ethenylnaphthalene (PubChem CID 18350138) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(1-butoxyethoxy)-4-ethenylnaphthalene.

Molecular Properties

Compound Name1-(1-butoxyethoxy)-4-ethenylnaphthalene
PubChem CID18350138
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-(1-butoxyethoxy)-4-ethenylnaphthalene
SMILESC=Cc1ccc(OC(C)OCCCC)c2ccccc12
InChIInChI=1S/C18H22O2/c1-4-6-13-19-14(3)20-18-12-11-15(5-2)16-9-7-8-10-17(16)18/h5,7-12,14H,2,4,6,13H2,1,3H3
InChIKeyVEEDRVUPGRWCLC-UHFFFAOYSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.37
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butoxyethoxy)-4-ethenylnaphthalene?
The IUPAC name of 1-(1-butoxyethoxy)-4-ethenylnaphthalene (CID 18350138) is 1-(1-butoxyethoxy)-4-ethenylnaphthalene.
What is the SMILES notation for 1-(1-butoxyethoxy)-4-ethenylnaphthalene?
The canonical SMILES for 1-(1-butoxyethoxy)-4-ethenylnaphthalene is C=Cc1ccc(OC(C)OCCCC)c2ccccc12.
What is the InChIKey of 1-(1-butoxyethoxy)-4-ethenylnaphthalene?
The InChIKey is VEEDRVUPGRWCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-4-6-13-19-14(3)20-18-12-11-15(5-2)16-9-7-8-10-17(16)18/h5,7-12,14H,2,4,6,13H2,1,3H3.
What are the key properties of 1-(1-butoxyethoxy)-4-ethenylnaphthalene?
1-(1-butoxyethoxy)-4-ethenylnaphthalene has a molecular weight of 270.37 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxyethoxy)-4-ethenylnaphthalene is sourced from PubChem (CID 18350138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).