ethyl (E)-8-phenyloct-7-enoate

C16H22O2 — CID 139263664

IUPACethyl (E)-8-phenyloct-7-enoate
SMILESCCOC(=O)CCCCC/C=C/c1ccccc1
InChIInChI=1S/C16H22O2/c1-2-18-16(17)14-10-5-3-4-7-11-15-12-8-6-9-13-15/h6-9,11-13H,2-5,10,14H2,1H3/b11-7+
InChIKeyMCHVZMMTBZIVLO-YRNVUSSQSA-N
MW246.35 g/mol
LogP4.21
Rot. Bonds8

About ethyl (E)-8-phenyloct-7-enoate

ethyl (E)-8-phenyloct-7-enoate (PubChem CID 139263664) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is ethyl (E)-8-phenyloct-7-enoate.

Molecular Properties

Compound Nameethyl (E)-8-phenyloct-7-enoate
PubChem CID139263664
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Nameethyl (E)-8-phenyloct-7-enoate
SMILESCCOC(=O)CCCCC/C=C/c1ccccc1
InChIInChI=1S/C16H22O2/c1-2-18-16(17)14-10-5-3-4-7-11-15-12-8-6-9-13-15/h6-9,11-13H,2-5,10,14H2,1H3/b11-7+
InChIKeyMCHVZMMTBZIVLO-YRNVUSSQSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.21
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)-7-phenylhept-6-enoate
CID 134964924
ethyl (Z)-9-phenylnon-7-enoate
CID 102272083
ethyl (E)-9-phenylnon-7-enoate
CID 11230728
ethenyl 20-phenylicos-19-enoate
CID 141418818
3-phenylprop-2-enyl undec-10-enoate
CID 5058041
ethyl (E)-10-oxo-12-phenyldodec-8-enoate
CID 11652605
ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
CID 76932222
ethyl 3-[4-(5-phenoxypent-1-enyl)phenyl]propanoate
CID 69074158
methyl (E)-12-(4-methylphenyl)dodec-11-enoate
CID 169218729
ethyl (E)-11-iodoundec-10-enoate
CID 100951018
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-8-phenyloct-7-enoate?
The IUPAC name of ethyl (E)-8-phenyloct-7-enoate (CID 139263664) is ethyl (E)-8-phenyloct-7-enoate.
What is the SMILES notation for ethyl (E)-8-phenyloct-7-enoate?
The canonical SMILES for ethyl (E)-8-phenyloct-7-enoate is CCOC(=O)CCCCC/C=C/c1ccccc1.
What is the InChIKey of ethyl (E)-8-phenyloct-7-enoate?
The InChIKey is MCHVZMMTBZIVLO-YRNVUSSQSA-N. The full InChI is InChI=1S/C16H22O2/c1-2-18-16(17)14-10-5-3-4-7-11-15-12-8-6-9-13-15/h6-9,11-13H,2-5,10,14H2,1H3/b11-7+.
What are the key properties of ethyl (E)-8-phenyloct-7-enoate?
ethyl (E)-8-phenyloct-7-enoate has a molecular weight of 246.35 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-8-phenyloct-7-enoate is sourced from PubChem (CID 139263664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).