ethyl (E)-7-phenylhept-6-enoate

C15H20O2 — CID 134964924

IUPACethyl (E)-7-phenylhept-6-enoate
SMILESCCOC(=O)CCCC/C=C/c1ccccc1
InChIInChI=1S/C15H20O2/c1-2-17-15(16)13-9-4-3-6-10-14-11-7-5-8-12-14/h5-8,10-12H,2-4,9,13H2,1H3/b10-6+
InChIKeyBFAAAJKDRLGIEQ-UXBLZVDNSA-N
MW232.32 g/mol
LogP3.82
Rot. Bonds7

About ethyl (E)-7-phenylhept-6-enoate

ethyl (E)-7-phenylhept-6-enoate (PubChem CID 134964924) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethyl (E)-7-phenylhept-6-enoate.

Molecular Properties

Compound Nameethyl (E)-7-phenylhept-6-enoate
PubChem CID134964924
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Nameethyl (E)-7-phenylhept-6-enoate
SMILESCCOC(=O)CCCC/C=C/c1ccccc1
InChIInChI=1S/C15H20O2/c1-2-17-15(16)13-9-4-3-6-10-14-11-7-5-8-12-14/h5-8,10-12H,2-4,9,13H2,1H3/b10-6+
InChIKeyBFAAAJKDRLGIEQ-UXBLZVDNSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-8-phenyloct-7-enoate
CID 139263664
ethyl (Z)-9-phenylnon-7-enoate
CID 102272083
ethyl (E)-9-phenylnon-7-enoate
CID 11230728
ethenyl 20-phenylicos-19-enoate
CID 141418818
ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
CID 76932222
ethyl 3-[4-(5-phenoxypent-1-enyl)phenyl]propanoate
CID 69074158
3-phenylprop-2-enyl undec-10-enoate
CID 5058041
ethyl (E)-10-oxo-12-phenyldodec-8-enoate
CID 11652605
6-oxo-6-(3-phenylprop-2-enoxy)hexanoic acid
CID 154188751
(E)-1,7-diphenylhept-6-en-1-one
CID 5369755
7-phenylhept-6-en-2-one
CID 582607
3-phenylprop-2-enyl butanoate;[(E)-3-phenylprop-2-enyl] butanoate
CID 89428693

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-7-phenylhept-6-enoate?
The IUPAC name of ethyl (E)-7-phenylhept-6-enoate (CID 134964924) is ethyl (E)-7-phenylhept-6-enoate.
What is the SMILES notation for ethyl (E)-7-phenylhept-6-enoate?
The canonical SMILES for ethyl (E)-7-phenylhept-6-enoate is CCOC(=O)CCCC/C=C/c1ccccc1.
What is the InChIKey of ethyl (E)-7-phenylhept-6-enoate?
The InChIKey is BFAAAJKDRLGIEQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-17-15(16)13-9-4-3-6-10-14-11-7-5-8-12-14/h5-8,10-12H,2-4,9,13H2,1H3/b10-6+.
What are the key properties of ethyl (E)-7-phenylhept-6-enoate?
ethyl (E)-7-phenylhept-6-enoate has a molecular weight of 232.32 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-7-phenylhept-6-enoate is sourced from PubChem (CID 134964924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).