ethyl (E)-9-phenylnon-2-enoate

C17H24O2 — CID 10753852

IUPACethyl (E)-9-phenylnon-2-enoate
SMILESCCOC(=O)/C=C/CCCCCCc1ccccc1
InChIInChI=1S/C17H24O2/c1-2-19-17(18)15-11-6-4-3-5-8-12-16-13-9-7-10-14-16/h7,9-11,13-15H,2-6,8,12H2,1H3/b15-11+
InChIKeyJPGBRKLPDUTGNF-RVDMUPIBSA-N
MW260.38 g/mol
LogP4.30
Rot. Bonds9

About ethyl (E)-9-phenylnon-2-enoate

ethyl (E)-9-phenylnon-2-enoate (PubChem CID 10753852) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is ethyl (E)-9-phenylnon-2-enoate.

Molecular Properties

Compound Nameethyl (E)-9-phenylnon-2-enoate
PubChem CID10753852
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Nameethyl (E)-9-phenylnon-2-enoate
SMILESCCOC(=O)/C=C/CCCCCCc1ccccc1
InChIInChI=1S/C17H24O2/c1-2-19-17(18)15-11-6-4-3-5-8-12-16-13-9-7-10-14-16/h7,9-11,13-15H,2-6,8,12H2,1H3/b15-11+
InChIKeyJPGBRKLPDUTGNF-RVDMUPIBSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

9-phenylnon-2-enamide
CID 123957146
ethyl (Z)-7-(4-hydroxy-3,5-dimethylphenyl)hept-2-enoate
CID 10356098
ethyl (2E,4E)-7-phenylhepta-2,4-dienoate
CID 20628704
ethyl (E)-10-oxo-12-phenyldodec-8-enoate
CID 11652605
(E)-N-methyl-11-phenylundec-2-enamide
CID 118028584
ethyl tridec-2-enoate
CID 54010960
ethyl (E)-octadec-2-enoate
CID 10913939
ethyl (E)-5-(3-methylphenyl)pent-2-enoate
CID 140750372
ethyl (2E,6Z)-8-phenylmethoxyocta-2,6-dienoate
CID 10084732
ethyl (2Z)-deca-2,9-dienoate
CID 141142906
ethyl (16Z)-docosa-2,13,16-trienoate
CID 175935939
ethyl (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-9-phenylnon-2-enoate?
The IUPAC name of ethyl (E)-9-phenylnon-2-enoate (CID 10753852) is ethyl (E)-9-phenylnon-2-enoate.
What is the SMILES notation for ethyl (E)-9-phenylnon-2-enoate?
The canonical SMILES for ethyl (E)-9-phenylnon-2-enoate is CCOC(=O)/C=C/CCCCCCc1ccccc1.
What is the InChIKey of ethyl (E)-9-phenylnon-2-enoate?
The InChIKey is JPGBRKLPDUTGNF-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-19-17(18)15-11-6-4-3-5-8-12-16-13-9-7-10-14-16/h7,9-11,13-15H,2-6,8,12H2,1H3/b15-11+.
What are the key properties of ethyl (E)-9-phenylnon-2-enoate?
ethyl (E)-9-phenylnon-2-enoate has a molecular weight of 260.38 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-9-phenylnon-2-enoate is sourced from PubChem (CID 10753852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).