1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene

C26H26 — CID 140685644

IUPAC1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene
SMILESCCCCCCC1=C/C(=C\c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C26H26/c1-2-3-4-5-12-22-19-23(26-17-9-8-16-25(22)26)18-21-14-10-13-20-11-6-7-15-24(20)21/h6-11,13-19H,2-5,12H2,1H3/b23-18+
InChIKeyLASUHANCQLBZEC-PTGBLXJZSA-N
MW338.49 g/mol
LogP7.75
Rot. Bonds6

About 1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene

1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene (PubChem CID 140685644) has the molecular formula C26H26 and a molecular weight of 338.49 g/mol. Its IUPAC name is 1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene
PubChem CID140685644
Molecular FormulaC26H26
Molecular Weight338.49 g/mol
Exact Mass338.20
IUPAC Name1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene
SMILESCCCCCCC1=C/C(=C\c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C26H26/c1-2-3-4-5-12-22-19-23(26-17-9-8-16-25(22)26)18-21-14-10-13-20-11-6-7-15-24(20)21/h6-11,13-19H,2-5,12H2,1H3/b23-18+
InChIKeyLASUHANCQLBZEC-PTGBLXJZSA-N
XLogP7.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene?
The IUPAC name of 1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene (CID 140685644) is 1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene.
What is the SMILES notation for 1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene?
The canonical SMILES for 1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene is CCCCCCC1=C/C(=C\c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of 1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene?
The InChIKey is LASUHANCQLBZEC-PTGBLXJZSA-N. The full InChI is InChI=1S/C26H26/c1-2-3-4-5-12-22-19-23(26-17-9-8-16-25(22)26)18-21-14-10-13-20-11-6-7-15-24(20)21/h6-11,13-19H,2-5,12H2,1H3/b23-18+.
What are the key properties of 1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene?
1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene has a molecular weight of 338.49 g/mol, XLogP of 7.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3-hexylinden-1-ylidene)methyl]naphthalene is sourced from PubChem (CID 140685644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).