2-[(1E,3E)-penta-1,3-dienyl]naphthalene

C15H14 — CID 135079977

IUPAC2-[(1E,3E)-penta-1,3-dienyl]naphthalene
SMILESC/C=C/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C15H14/c1-2-3-4-7-13-10-11-14-8-5-6-9-15(14)12-13/h2-12H,1H3/b3-2+,7-4+
InChIKeyOUEHNYCIKHFCLP-AOGGBPEJSA-N
MW194.28 g/mol
LogP4.43
Rot. Bonds2

About 2-[(1E,3E)-penta-1,3-dienyl]naphthalene

2-[(1E,3E)-penta-1,3-dienyl]naphthalene (PubChem CID 135079977) has the molecular formula C15H14 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[(1E,3E)-penta-1,3-dienyl]naphthalene.

Molecular Properties

Compound Name2-[(1E,3E)-penta-1,3-dienyl]naphthalene
PubChem CID135079977
Molecular FormulaC15H14
Molecular Weight194.28 g/mol
Exact Mass194.11
IUPAC Name2-[(1E,3E)-penta-1,3-dienyl]naphthalene
SMILESC/C=C/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C15H14/c1-2-3-4-7-13-10-11-14-8-5-6-9-15(14)12-13/h2-12H,1H3/b3-2+,7-4+
InChIKeyOUEHNYCIKHFCLP-AOGGBPEJSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Naphthalene
CID 931
Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
1,2,4-Trimethylbenzene
CID 7247
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Acenaphthylene
CID 9161

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-penta-1,3-dienyl]naphthalene?
The IUPAC name of 2-[(1E,3E)-penta-1,3-dienyl]naphthalene (CID 135079977) is 2-[(1E,3E)-penta-1,3-dienyl]naphthalene.
What is the SMILES notation for 2-[(1E,3E)-penta-1,3-dienyl]naphthalene?
The canonical SMILES for 2-[(1E,3E)-penta-1,3-dienyl]naphthalene is C/C=C/C=C/c1ccc2ccccc2c1.
What is the InChIKey of 2-[(1E,3E)-penta-1,3-dienyl]naphthalene?
The InChIKey is OUEHNYCIKHFCLP-AOGGBPEJSA-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/h2-12H,1H3/b3-2+,7-4+.
What are the key properties of 2-[(1E,3E)-penta-1,3-dienyl]naphthalene?
2-[(1E,3E)-penta-1,3-dienyl]naphthalene has a molecular weight of 194.28 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-penta-1,3-dienyl]naphthalene is sourced from PubChem (CID 135079977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).