2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene

C18H18O — CID 143269279

IUPAC2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene
SMILESC=C/C=C(\C=C/CC)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H18O/c1-3-5-11-17(8-4-2)19-18-13-12-15-9-6-7-10-16(15)14-18/h4-14H,2-3H2,1H3/b11-5-,17-8+
InChIKeyWRFZGHLPAAAABJ-JDCPZMFTSA-N
MW250.34 g/mol
LogP5.25
Rot. Bonds5

About 2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene

2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene (PubChem CID 143269279) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene.

Molecular Properties

Compound Name2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene
PubChem CID143269279
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene
SMILESC=C/C=C(\C=C/CC)Oc1ccc2ccccc2c1
InChIInChI=1S/C18H18O/c1-3-5-11-17(8-4-2)19-18-13-12-15-9-6-7-10-16(15)14-18/h4-14H,2-3H2,1H3/b11-5-,17-8+
InChIKeyWRFZGHLPAAAABJ-JDCPZMFTSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.34
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene?
The IUPAC name of 2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene (CID 143269279) is 2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene.
What is the SMILES notation for 2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene?
The canonical SMILES for 2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene is C=C/C=C(\C=C/CC)Oc1ccc2ccccc2c1.
What is the InChIKey of 2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene?
The InChIKey is WRFZGHLPAAAABJ-JDCPZMFTSA-N. The full InChI is InChI=1S/C18H18O/c1-3-5-11-17(8-4-2)19-18-13-12-15-9-6-7-10-16(15)14-18/h4-14H,2-3H2,1H3/b11-5-,17-8+.
What are the key properties of 2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene?
2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene has a molecular weight of 250.34 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-octa-1,3,5-trien-4-yl]oxynaphthalene is sourced from PubChem (CID 143269279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).