ethyl (E)-9-phenylnon-7-enoate

C17H24O2 — CID 11230728

IUPACethyl (E)-9-phenylnon-7-enoate
SMILESCCOC(=O)CCCCC/C=C/Cc1ccccc1
InChIInChI=1S/C17H24O2/c1-2-19-17(18)15-11-6-4-3-5-8-12-16-13-9-7-10-14-16/h5,7-10,13-14H,2-4,6,11-12,15H2,1H3/b8-5+
InChIKeyDBSQTGAUCJZAFV-VMPITWQZSA-N
MW260.38 g/mol
LogP4.30
Rot. Bonds9

About ethyl (E)-9-phenylnon-7-enoate

ethyl (E)-9-phenylnon-7-enoate (PubChem CID 11230728) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is ethyl (E)-9-phenylnon-7-enoate.

Molecular Properties

Compound Nameethyl (E)-9-phenylnon-7-enoate
PubChem CID11230728
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Nameethyl (E)-9-phenylnon-7-enoate
SMILESCCOC(=O)CCCCC/C=C/Cc1ccccc1
InChIInChI=1S/C17H24O2/c1-2-19-17(18)15-11-6-4-3-5-8-12-16-13-9-7-10-14-16/h5,7-10,13-14H,2-4,6,11-12,15H2,1H3/b8-5+
InChIKeyDBSQTGAUCJZAFV-VMPITWQZSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-9-phenylnon-7-enoate
CID 102272083
ethyl (E)-8-phenyloct-7-enoate
CID 139263664
ethyl (E)-10-oxo-12-phenyldodec-8-enoate
CID 11652605
ethyl (E)-7-phenylhept-6-enoate
CID 134964924
ethyl 16-(2-phenylethylcarbamoylamino)hexadec-6-enoate
CID 123960466
benzyl (9Z,12Z)-octadeca-9,12-dienoate
CID 5368290
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
benzyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
CID 151994242
ethyl (11Z)-icosa-11,14-dienoate
CID 77134635
CID 175771564
CID 175771564
ethyl (Z)-octadec-9-enoate;(Z)-octadec-9-enoic acid
CID 135354246

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-9-phenylnon-7-enoate?
The IUPAC name of ethyl (E)-9-phenylnon-7-enoate (CID 11230728) is ethyl (E)-9-phenylnon-7-enoate.
What is the SMILES notation for ethyl (E)-9-phenylnon-7-enoate?
The canonical SMILES for ethyl (E)-9-phenylnon-7-enoate is CCOC(=O)CCCCC/C=C/Cc1ccccc1.
What is the InChIKey of ethyl (E)-9-phenylnon-7-enoate?
The InChIKey is DBSQTGAUCJZAFV-VMPITWQZSA-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/h5,7-10,13-14H,2-4,6,11-12,15H2,1H3/b8-5+.
What are the key properties of ethyl (E)-9-phenylnon-7-enoate?
ethyl (E)-9-phenylnon-7-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-7-enoate is sourced from PubChem (CID 11230728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).