[(E)-but-2-enyl] naphthalene-1-carboxylate

C15H14O2 — CID 15424069

IUPAC[(E)-but-2-enyl] naphthalene-1-carboxylate
SMILESC/C=C/COC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H14O2/c1-2-3-11-17-15(16)14-10-6-8-12-7-4-5-9-13(12)14/h2-10H,11H2,1H3/b3-2+
InChIKeyRQZJTEGZNNHIIO-NSCUHMNNSA-N
MW226.27 g/mol
LogP3.57
Rot. Bonds3

About [(E)-but-2-enyl] naphthalene-1-carboxylate

[(E)-but-2-enyl] naphthalene-1-carboxylate (PubChem CID 15424069) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is [(E)-but-2-enyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[(E)-but-2-enyl] naphthalene-1-carboxylate
PubChem CID15424069
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name[(E)-but-2-enyl] naphthalene-1-carboxylate
SMILESC/C=C/COC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H14O2/c1-2-3-11-17-15(16)14-10-6-8-12-7-4-5-9-13(12)14/h2-10H,11H2,1H3/b3-2+
InChIKeyRQZJTEGZNNHIIO-NSCUHMNNSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-O-[(E)-but-2-enyl] 2-O-trimethylsilyl benzene-1,2-dicarboxylate
CID 91735844
but-2-enyl 2-(methoxymethyl)benzoate
CID 76861630
[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] naphthalene-1-carboxylate
CID 67644130
[(E)-but-2-enyl] benzoate
CID 5352600
2-methylprop-2-enyl naphthalene-1-carboxylate
CID 22594823
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
cyanomethyl naphthalene-1-carboxylate
CID 2477503
bromo naphthalene-1-carboxylate
CID 68796403
2-O,4-O-bis[(E)-but-2-enyl] 1-O-[(Z)-but-2-enyl] benzene-1,2,4-tricarboxylate
CID 59119104
ethyl chrysene-1-carboxylate
CID 86251232
azane;dodecyl naphthalene-1-carboxylate
CID 172795658

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] naphthalene-1-carboxylate?
The IUPAC name of [(E)-but-2-enyl] naphthalene-1-carboxylate (CID 15424069) is [(E)-but-2-enyl] naphthalene-1-carboxylate.
What is the SMILES notation for [(E)-but-2-enyl] naphthalene-1-carboxylate?
The canonical SMILES for [(E)-but-2-enyl] naphthalene-1-carboxylate is C/C=C/COC(=O)c1cccc2ccccc12.
What is the InChIKey of [(E)-but-2-enyl] naphthalene-1-carboxylate?
The InChIKey is RQZJTEGZNNHIIO-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H14O2/c1-2-3-11-17-15(16)14-10-6-8-12-7-4-5-9-13(12)14/h2-10H,11H2,1H3/b3-2+.
What are the key properties of [(E)-but-2-enyl] naphthalene-1-carboxylate?
[(E)-but-2-enyl] naphthalene-1-carboxylate has a molecular weight of 226.27 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] naphthalene-1-carboxylate is sourced from PubChem (CID 15424069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).