[(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate

C25H20O2 — CID 88580923

IUPAC[(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate
SMILESO=CO/C=C(\CCc1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C25H20O2/c26-18-27-17-25(24-14-13-21-6-2-4-8-23(21)16-24)12-10-19-9-11-20-5-1-3-7-22(20)15-19/h1-9,11,13-18H,10,12H2/b25-17+
InChIKeyDTXZKVODZOLOCM-KOEQRZSOSA-N
MW352.43 g/mol
LogP6.14
Rot. Bonds6

About [(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate

[(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate (PubChem CID 88580923) has the molecular formula C25H20O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is [(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate.

Molecular Properties

Compound Name[(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate
PubChem CID88580923
Molecular FormulaC25H20O2
Molecular Weight352.43 g/mol
Exact Mass352.15
IUPAC Name[(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate
SMILESO=CO/C=C(\CCc1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C25H20O2/c26-18-27-17-25(24-14-13-21-6-2-4-8-23(21)16-24)12-10-19-9-11-20-5-1-3-7-22(20)15-19/h1-9,11,13-18H,10,12H2/b25-17+
InChIKeyDTXZKVODZOLOCM-KOEQRZSOSA-N
XLogP6.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate?
The IUPAC name of [(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate (CID 88580923) is [(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate.
What is the SMILES notation for [(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate?
The canonical SMILES for [(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate is O=CO/C=C(\CCc1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of [(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate?
The InChIKey is DTXZKVODZOLOCM-KOEQRZSOSA-N. The full InChI is InChI=1S/C25H20O2/c26-18-27-17-25(24-14-13-21-6-2-4-8-23(21)16-24)12-10-19-9-11-20-5-1-3-7-22(20)15-19/h1-9,11,13-18H,10,12H2/b25-17+.
What are the key properties of [(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate?
[(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate has a molecular weight of 352.43 g/mol, XLogP of 6.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,4-dinaphthalen-2-ylbut-1-enyl] formate is sourced from PubChem (CID 88580923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).